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ID: ALA1091093
Max Phase: Preclinical
Molecular Formula: C15H28O
Molecular Weight: 224.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCC/C=C/C(C)=O
Standard InChI: InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h13-14H,3-12H2,1-2H3/b14-13+
Standard InChI Key: ANXZEFBFFVWWMJ-BUHFOSPRSA-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: 224.39 | Molecular Weight (Monoisotopic): 224.2140 | AlogP: 5.05 | #Rotatable Bonds: 11 |
| 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: 5.69 | CX LogD: 5.69 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.35 | Np Likeness Score: 1.18 |
