ID: ALA5280248

Max Phase: Preclinical

Molecular Formula: C23H30O2

Molecular Weight: 338.49

Representations

Canonical SMILES:  CC(C)=C1C/C=C(\C)CC/C=C(\C)CC1OC(=O)c1ccc(C)cc1

Standard InChI:  InChI=1S/C23H30O2/c1-16(2)21-14-11-17(3)7-6-8-19(5)15-22(21)25-23(24)20-12-9-18(4)10-13-20/h8-13,22H,6-7,14-15H2,1-5H3/b17-11+,19-8+

Standard InChI Key:  WPGBZPXHPHENGG-FNVBVLSVSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 338.49

Molecular Weight (Monoisotopic): 338.2246

AlogP: 6.32

#Rotatable Bonds: 2

Polar Surface Area: 26.30

Molecular Species:

HBA: 2

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 2

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa:

CX LogP: 6.56

CX LogD: 6.56

Aromatic Rings: 1

Heavy Atoms: 25

QED Weighted: 0.47

Np Likeness Score: 1.29

References

1. Parikh PK, Ghate MD..  (2018)  Recent advances in the discovery of small molecule c-Met Kinase inhibitors.,  143  [PMID:29157685] [10.1016/j.ejmech.2017.08.044]

Source

Source(1):

• Scientific Literature