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MMsINC code: MMs00063178

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1c(NC(=O)C2CC(=O)N(C2)c2ccccc2)cccc1Cl

InChI:

InChI=1/C17H14Cl2N2O2/c18-13-7-4-8-14(16(13)19)20-17(23)11-9-15(22)21(10-11)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8714 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -4.73323	SlogP: 3.985	Reactive groups: 0

Topological Properties
Globularity: 0.0859712	Sterimol/B1: 3.2045	Sterimol/B2: 3.64443	Sterimol/B3: 3.88074
Sterimol/B4: 6.50264	Sterimol/L: 17.0966

Surface and Volume Properties
Accessible surface: 561.523	Positive charged surface: 262.719	Negative charged surface: 298.803	Volume: 301
Hydrophobic surface: 504.534	Hydrophilic surface: 56.989

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.