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MMsINC code: MMs02656893

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1CC(=O)Nc1ncccc1

InChI:

InChI=1/C13H10Cl2N2O/c14-10-4-3-5-11(15)9(10)8-13(18)17-12-6-1-2-7-16-12/h1-7H,8H2,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1063 kcal/mol

Physical Properties
Molecular Weight: 281.142 g/mol	logS: -3.93804	SlogP: 3.56957	Reactive groups: 0

Topological Properties
Globularity: 0.0920707	Sterimol/B1: 3.55628	Sterimol/B2: 4.42595	Sterimol/B3: 4.72128
Sterimol/B4: 4.74492	Sterimol/L: 14.3123

Surface and Volume Properties
Accessible surface: 476.18	Positive charged surface: 230.571	Negative charged surface: 245.609	Volume: 241.75
Hydrophobic surface: 430.197	Hydrophilic surface: 45.983

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.