MMsINC Database Search


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MMsINC code: MMs02338810

Type: Neutral
Formula: C₁₁H₁₃ClO

SMILES:

Clc1ccc(cc1)C1(O)CCCC1

InChI:

InChI=1/C11H13ClO/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6,13H,1-2,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2985 kcal/mol

Physical Properties
Molecular Weight: 196.677 g/mol	logS: -2.84611	SlogP: 3.4131	Reactive groups: 0

Topological Properties
Globularity: 0.132064	Sterimol/B1: 2.63162	Sterimol/B2: 3.34839	Sterimol/B3: 3.40456
Sterimol/B4: 5.16036	Sterimol/L: 12.0608

Surface and Volume Properties
Accessible surface: 383.781	Positive charged surface: 205.073	Negative charged surface: 178.708	Volume: 189
Hydrophobic surface: 351.546	Hydrophilic surface: 32.235

Pharmacophoric Properties
Hydrogen bond donors: 1	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.