ID: ALA4642294

Max Phase: Preclinical

Molecular Formula: C24H26O4

Molecular Weight: 378.47

Molecule Type: Unknown

Representations

Canonical SMILES:  O=C(O)[C@H]1C[C@@H]1CCC12CCC(c3cccc(Oc4ccccc4)c3)(CC1)O2

Standard InChI:  InChI=1S/C24H26O4/c25-22(26)21-15-17(21)9-10-23-11-13-24(28-23,14-12-23)18-5-4-8-20(16-18)27-19-6-2-1-3-7-19/h1-8,16-17,21H,9-15H2,(H,25,26)/t17-,21-,23?,24?/m0/s1

Standard InChI Key:  SNDBIMFUTZHJHS-QQIMVSQYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 378.47

Molecular Weight (Monoisotopic): 378.1831

AlogP: 5.52

#Rotatable Bonds: 7

Polar Surface Area: 55.76

Molecular Species: ACID

HBA: 3

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 4.25

CX Basic pKa:

CX LogP: 4.94

CX LogD: 1.94

Aromatic Rings: 2

Heavy Atoms: 28

QED Weighted: 0.69

Np Likeness Score: 0.64

References

1. Dowarah J, Singh VP..  (2020)  Anti-diabetic drugs recent approaches and advancements.,  28  (5): [PMID:32008883] [10.1016/j.bmc.2019.115263]

2. Kerru N, Singh-Pillay A, Awolade P, Singh P..  (2018)  Current anti-diabetic agents and their molecular targets: A review.,  152  [PMID:29751237] [10.1016/j.ejmech.2018.04.061]

Source

Source(1):

• Scientific Literature