ID: ALA2287143

Max Phase: Preclinical

Molecular Formula: C18H34N2O4

Molecular Weight: 342.48

Molecule Type: Unknown

Representations

Canonical SMILES:  CCCCC[C@H]1CCCCC[C@H]2CC(=O)[C@@H](CCC(=O)O1)O2.NN

Standard InChI:  InChI=1S/C18H30O4.H4N2/c1-2-3-5-8-14-9-6-4-7-10-15-13-16(19)17(21-15)11-12-18(20)22-14;1-2/h14-15,17H,2-13H2,1H3;1-2H2/t14-,15-,17+;/m0./s1

Standard InChI Key:  ACQIRCFZTAWBEV-NOYXXFKXSA-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: 342.48

Molecular Weight (Monoisotopic): 342.2519

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. UENO T, MIYAGAWA H, TSURUSHIMA T, INOUE M.  (1997)  Spore Germination Self-Inhibitors from Plant Pathogenic Fungi,  22  (4): [10.1584/jpestics.22.342]

Source

Source(1):

• Scientific Literature