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ID: ALA1091094
Max Phase: Preclinical
Molecular Formula: C16H30O
Molecular Weight: 238.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCC/C=C/C(C)=O
Standard InChI: InChI=1S/C16H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h14-15H,3-13H2,1-2H3/b15-14+
Standard InChI Key: OSXJFKGXCJXRJC-CCEZHUSRSA-N
Associated Targets(non-human)
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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 238.41 | Molecular Weight (Monoisotopic): 238.2297 | AlogP: 5.44 | #Rotatable Bonds: 12 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.14 | CX LogD: 6.14 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.33 | Np Likeness Score: 1.11 |
