ID: ALA45844

Max Phase: Preclinical

Molecular Formula: C10H17NO

Molecular Weight: 167.25

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=CN(C1CCCC1)C1CCC1

Standard InChI:  InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2

Standard InChI Key:  DWGVYBRKKSJLNS-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: 167.25

Molecular Weight (Monoisotopic): 167.1310

AlogP: 1.94

#Rotatable Bonds: 3

Polar Surface Area: 20.31

Molecular Species: NEUTRAL

HBA: 1

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 1.63

CX LogD: 1.63

Aromatic Rings: 0

Heavy Atoms: 12

QED Weighted: 0.59

Np Likeness Score: -0.06

References

1. Schindler JF, Berst KB, Plapp BV..  (1998)  Inhibition of human alcohol dehydrogenases by formamides.,  41  (10): [PMID:9572895] [10.1021/jm9707380]

Source

Source(1):

• Scientific Literature