ID: ALA3309504

Max Phase: Preclinical

Molecular Formula: C16H15FO4

Molecular Weight: 290.29

Molecule Type: Small molecule

Representations

Canonical SMILES:  Fc1ccc(OCCCOc2ccc3c(c2)OCO3)cc1

Standard InChI:  InChI=1S/C16H15FO4/c17-12-2-4-13(5-3-12)18-8-1-9-19-14-6-7-15-16(10-14)21-11-20-15/h2-7,10H,1,8-9,11H2

Standard InChI Key:  OBYVYUFLHVSCEQ-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: 290.29

Molecular Weight (Monoisotopic): 290.0954

AlogP: 3.40

#Rotatable Bonds: 6

Polar Surface Area: 36.92

Molecular Species: NEUTRAL

HBA: 4

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 3.29

CX LogD: 3.29

Aromatic Rings: 2

Heavy Atoms: 21

QED Weighted: 0.76

Np Likeness Score: -0.64

References

1. Bernard AM, Cabiddu MG, De Montis S, Mura R, Pompei R..  (2014)  Synthesis of new compounds with promising antiviral properties against group A and B Human Rhinoviruses.,  22  (15): [PMID:24973816] [10.1016/j.bmc.2014.05.066]

Source

Source(1):

• Scientific Literature