MMsINC Database Search


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MMsINC code: MMs02283333

Type: Neutral
Formula: C₁₁H₁₆O₂

SMILES:

o1cccc1C(=O)CCCCCC

InChI:

InChI=1/C11H16O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.6138 kcal/mol

Physical Properties
Molecular Weight: 180.247 g/mol	logS: -3.71137	SlogP: 3.4327	Reactive groups: 0

Topological Properties
Globularity: 0.02257	Sterimol/B1: 2.37515	Sterimol/B2: 2.3758	Sterimol/B3: 3.47186
Sterimol/B4: 3.76529	Sterimol/L: 15.8684

Surface and Volume Properties
Accessible surface: 430.987	Positive charged surface: 284.735	Negative charged surface: 146.252	Volume: 197
Hydrophobic surface: 367.953	Hydrophilic surface: 63.034

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.