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[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

Molecule Name:	HMDB00016
Refractivity:	94.41
Resonant Structures:	6
topological PSA:	54.37
ASA hydrophobic:	353.21
ASA polar:	81.68
Accessible Surface Area:	434.89
cLogS:	-4.035
MW:	330.466
cLogP:	3.0923
H-Acceptors:	3
H-Donors:	1
Ro5 violations:	0
DrugScore:	0.331114135
Druglikeness:	1.4892
Irritant:	none
Mutagenic:	none
Reproductive Effective:	high
Tumorigenic:	low
Fish Toxicity:	High FHMT
Fish Toxicity2:	0.6671
Rat Acute Toxicity:	1.3868
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2+
Caco-2 Permeability2:	1.4737
P-glycoprotein Inhibitor2:	Substrate
P-glycoprotein Inhibitor:	Inhibitor
P-glycoprotein Inhibitor2:	Non-inhibitor
Human Ether-a-go-go-Related Gene Inhibition:	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2:	Non-inhibitor
CYP450 2C9 Substrate:	Non-substrate
Tetrahymena Pyriformis Toxicity :	High TPT
Tetrahymena Pyriformis Toxicity2:	1.0354
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Substrate
CYP450 3A4 Substrate:	Non-inhibitor
CYP450 2C19 Inhibitor:	Non-inhibitor
CYP450 2C9 Inhibitor:	Non-inhibitor
CYP450 2D6 Inhibitor:	Non-inhibitor
CYP450 1A2 Inhibitor:	Non-inhibitor
CYP450 2D6 Substrate:	Non-substrate
Biodegradation:	Not ready biodegradable
Carcinogens:	Non-carcinogens
Blood-Brain Barrier:	BBB+
CYP Inhibitory Promiscuity:	Low CYP Inhibitory Promiscuity
Honey Bee Toxicity:	High HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Human Intestinal Absorption:	HIA+