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MMsINC code: MMs01264125

Type: Neutral
Formula: C₁₇H₁₇Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1CC(=O)NCCc1ccc(OC)cc1

InChI:

InChI=1/C17H17Cl2NO2/c1-22-13-7-5-12(6-8-13)9-10-20-17(21)11-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1163 kcal/mol

Physical Properties
Molecular Weight: 338.234 g/mol	logS: -4.94081	SlogP: 3.90334	Reactive groups: 0

Topological Properties
Globularity: 0.0621615	Sterimol/B1: 2.82916	Sterimol/B2: 3.0996	Sterimol/B3: 4.69531
Sterimol/B4: 5.80891	Sterimol/L: 18.3519

Surface and Volume Properties
Accessible surface: 591.795	Positive charged surface: 325.148	Negative charged surface: 266.646	Volume: 308.625
Hydrophobic surface: 544.125	Hydrophilic surface: 47.67

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.