ID: ALA5275764

Max Phase: Preclinical

Molecular Formula: C9H11FN2O6

Molecular Weight: 262.19

Representations

Canonical SMILES:  O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1F

Standard InChI:  InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6+,8-/m1/s1

Standard InChI Key:  FHIDNBAQOFJWCA-MNCSTQPFSA-N

Molecule Features

Natural Product: Yes

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: 262.19

Molecular Weight (Monoisotopic): 262.0601

AlogP: -2.71

#Rotatable Bonds: 2

Polar Surface Area: 124.78

Molecular Species: NEUTRAL

HBA: 7

HBD: 4

#RO5 Violations: 0

HBA (Lipinski): 8

HBD (Lipinski): 4

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 8.07

CX Basic pKa:

CX LogP: -2.22

CX LogD: -2.30

Aromatic Rings: 1

Heavy Atoms: 18

QED Weighted: 0.46

Np Likeness Score: 0.91

References

1. Ramesh D, Vijayakumar BG, Kannan T..  (2020)  Therapeutic potential of uracil and its derivatives in countering pathogenic and physiological disorders.,  207  [PMID:32927231] [10.1016/j.ejmech.2020.112801]

Source

Source(1):

• Scientific Literature