MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02408288

Type: Neutral
Formula: C₁₈H₃₄O₂

SMILES:

O(C(=O)CCCCCC1CCCCC1)CCCCCC

InChI:

InChI=1/C18H34O2/c1-2-3-4-11-16-20-18(19)15-10-6-9-14-17-12-7-5-8-13-17/h17H,2-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.9678 kcal/mol

Physical Properties
Molecular Weight: 282.468 g/mol	logS: -6.81742	SlogP: 5.6407	Reactive groups: 1

Topological Properties
Globularity: 0.0148578	Sterimol/B1: 2.87739	Sterimol/B2: 3.21836	Sterimol/B3: 3.51814
Sterimol/B4: 4.18816	Sterimol/L: 23.4353

Surface and Volume Properties
Accessible surface: 642.717	Positive charged surface: 522.138	Negative charged surface: 120.578	Volume: 326.875
Hydrophobic surface: 580.454	Hydrophilic surface: 62.263

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.