"Dengue" Chemical Library
Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
---|---|---|---|---|---|---|---|---|---|
667698 | 41.99 | -5.428 | 338.409 | 4.5827 | 3 | 1 | 0 | 0.467395696 | 1.295 |
674260 | 45.33 | -4.449 | 348.445 | 4.2833 | 4 | 1 | 0 | 0.606350929 | 2.2949 |
675821 | 78.43 | -4.719 | 332.358 | 3.8226 | 5 | 3 | 0 | 0.069391805 | 0.5901 |
680470 | 69.97 | -5.134 | 342.353 | 4.2613 | 5 | 1 | 0 | 0.557727026 | 2.7825 |
680540 | 66.4 | -5.277 | 343.381 | 4.4992 | 4 | 2 | 0 | 0.098841595 | 0.79153 |
692942 | 56.48 | -3.601 | 289.293 | 1.8712 | 5 | 0 | 0 | 0.839251401 | 3.6967 |
698343 | 124.44 | -4.59 | 350.333 | 2.5075 | 8 | 4 | 0 | 0.463198325 | -0.86954 |
698347 | 94.36 | -4.306 | 346.345 | 2.168 | 7 | 2 | 0 | 0.588640693 | 2.9312 |
704832 | 67.76 | -4.113 | 308.336 | 2.7274 | 5 | 1 | 0 | 0.680069961 | 1.0996 |
706105 | 44.89 | -4.951 | 324.398 | 4.1725 | 3 | 2 | 0 | 0.548313976 | 1.4402 |
712681 | 68.02 | -5.351 | 335.386 | 2.7491 | 5 | 1 | 0 | 0.574822483 | 1.5114 |
738745 | 33.2 | -4.363 | 286.333 | 2.8423 | 3 | 0 | 0 | 0.713119046 | 2.0521 |
743024 | 126.56 | -3.04 | 320.324 | 1.0562 | 7 | 3 | 0 | 0.483018097 | -2.2384 |
757528 | 112.32 | -5.212 | 347.329 | 3.1923 | 7 | 0 | 0 | 0.112769456 | -7.6769 |
774476 | 67.76 | -4.423 | 334.252 | 2.539 | 5 | 1 | 0 | 0.370259612 | -26.62 |
776425 | 68.02 | -5.856 | 339.418 | 3.7749 | 5 | 1 | 0 | 0.248777136 | 2.4938 |
794825 | 60.38 | -4.941 | 341.413 | 3.8658 | 4 | 1 | 0 | 0.283157589 | 2.1609 |
821355 | 41.57 | -5.331 | 295.344 | 4.0812 | 3 | 1 | 0 | 0.228426764 | -0.82797 |
823396 | 121.8 | -3.619 | 350.35 | 1.3507 | 8 | 3 | 0 | 0.619413793 | 0.0067857 |
835927 | 58.97 | -3.183 | 306.32 | 2.7751 | 5 | 0 | 0 | 0.65446188 | 0.19443 |
839400 | 67.76 | -5.009 | 348.401 | 3.3988 | 5 | 1 | 0 | 0.340949479 | -2.6098 |
843529 | 79.51 | -4.562 | 346.389 | 2.169 | 6 | 2 | 0 | 0.261975741 | 6.803 |
851383 | 103.78 | -2.28 | 348.378 | 1.5108 | 7 | 2 | 0 | 0.877680487 | 3.7234 |
851385 | 103.78 | -2.28 | 348.378 | 1.5108 | 7 | 2 | 0 | 0.496611921 | -2.0086 |
869009 | 41.99 | -5.471 | 318.419 | 4.618 | 3 | 1 | 0 | 0.240590783 | 2.3635 |