ID: ALA229244

Max Phase: Preclinical

Molecular Formula: C20H43N2O5P

Molecular Weight: 422.55

Molecule Type: Small molecule

Representations

Canonical SMILES:  CCCCCCCCCNC(=O)CCCCCOP(=O)([O-])OCC[N+](C)(C)C

Standard InChI:  InChI=1S/C20H43N2O5P/c1-5-6-7-8-9-10-13-16-21-20(23)15-12-11-14-18-26-28(24,25)27-19-17-22(2,3)4/h5-19H2,1-4H3,(H-,21,23,24,25)

Standard InChI Key:  ZVUHIAWPPASGNQ-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: 422.55

Molecular Weight (Monoisotopic): 422.2910

AlogP: 3.62

#Rotatable Bonds: 19

Polar Surface Area: 87.69

Molecular Species: ACID

HBA: 5

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 7

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 1.88

CX Basic pKa:

CX LogP: -0.55

CX LogD: 1.47

Aromatic Rings: 0

Heavy Atoms: 28

QED Weighted: 0.20

Np Likeness Score: 0.16

References

1. Obando D, Widmer F, Wright LC, Sorrell TC, Jolliffe KA..  (2007)  Synthesis, antifungal and antimicrobial activity of alkylphospholipids.,  15  (15): [PMID:17532639] [10.1016/j.bmc.2007.05.028]

Source

Source(1):

• Scientific Literature