MMsINC Database Search


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MMsINC code: MMs02266003

Type: Neutral
Formula: C₁₁H₁₄ClNO₂

SMILES:

Clc1ccc(OCC(=O)NCC)cc1C

InChI:

InChI=1/C11H14ClNO2/c1-3-13-11(14)7-15-9-4-5-10(12)8(2)6-9/h4-6H,3,7H2,1-2H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.5686 kcal/mol

Physical Properties
Molecular Weight: 227.691 g/mol	logS: -2.8298	SlogP: 2.16332	Reactive groups: 0

Topological Properties
Globularity: 0.0139835	Sterimol/B1: 2.37653	Sterimol/B2: 2.51031	Sterimol/B3: 3.88137
Sterimol/B4: 4.15841	Sterimol/L: 15.8172

Surface and Volume Properties
Accessible surface: 463.271	Positive charged surface: 272.572	Negative charged surface: 190.699	Volume: 216
Hydrophobic surface: 378.133	Hydrophilic surface: 85.138

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.