ID: ALA1715135

Max Phase: Preclinical

Molecular Formula: C18H32O2

Molecular Weight: 280.45

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC1(C)C[C@@H](O)CC2(C1)C[C@]1(C)CC(O)[C@H]2C(C)(C)C1

Standard InChI:  InChI=1S/C18H32O2/c1-15(2)6-12(19)7-18(9-15)11-17(5)8-13(20)14(18)16(3,4)10-17/h12-14,19-20H,6-11H2,1-5H3/t12-,13?,14+,17-,18?/m1/s1

Standard InChI Key:  OYKKAFUDCTVRPS-PZRQUZJSSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 280.45

Molecular Weight (Monoisotopic): 280.2402

AlogP: 3.75

#Rotatable Bonds: 0

Polar Surface Area: 40.46

Molecular Species: NEUTRAL

HBA: 2

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 3.01

CX LogD: 3.01

Aromatic Rings: 0

Heavy Atoms: 20

QED Weighted: 0.71

Np Likeness Score: 1.84

References

1. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays