ID: ALA2334327

Max Phase: Preclinical

Molecular Formula: C18H16O3

Molecular Weight: 280.32

Molecule Type: Small molecule

Representations

Canonical SMILES:  Oc1cc(CCc2ccc3ccccc3c2)cc(O)c1O

Standard InChI:  InChI=1S/C18H16O3/c19-16-10-13(11-17(20)18(16)21)6-5-12-7-8-14-3-1-2-4-15(14)9-12/h1-4,7-11,19-21H,5-6H2

Standard InChI Key:  RNVWGJBGBNGIOT-UHFFFAOYSA-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: 280.32

Molecular Weight (Monoisotopic): 280.1099

AlogP: 3.74

#Rotatable Bonds: 3

Polar Surface Area: 60.69

Molecular Species: NEUTRAL

HBA: 3

HBD: 3

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 9.16

CX Basic pKa:

CX LogP: 4.59

CX LogD: 4.58

Aromatic Rings: 3

Heavy Atoms: 21

QED Weighted: 0.64

Np Likeness Score: 0.53

References

1. Mamidyala SK, Ramu S, Huang JX, Robertson AA, Cooper MA..  (2013)  Efficient synthesis of anacardic acid analogues and their antibacterial activities.,  23  (6): [PMID:23416004] [10.1016/j.bmcl.2013.01.074]

2.  (2018)  Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, 

Source

Source(2):

• Scientific Literature
• Patent Bioactivity Data