MMsINC Database Search


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MMsINC code: MMs02992561

Type: Neutral
Formula: C₁₁H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)CC(=O)NCCOC

InChI:

InChI=1/C11H14ClNO2/c1-15-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1327 kcal/mol

Physical Properties
Molecular Weight: 227.691 g/mol	logS: -2.46941	SlogP: 1.64507	Reactive groups: 0

Topological Properties
Globularity: 0.0574105	Sterimol/B1: 2.87177	Sterimol/B2: 3.02051	Sterimol/B3: 3.61393
Sterimol/B4: 4.20144	Sterimol/L: 16.2113

Surface and Volume Properties
Accessible surface: 467.752	Positive charged surface: 306.971	Negative charged surface: 160.78	Volume: 217.125
Hydrophobic surface: 418.37	Hydrophilic surface: 49.382

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.