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MMsINC code: MMs02191968

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O

SMILES:

Clc1cccc(NC(=O)c2cccnc2Cl)c1C

InChI:

InChI=1/C13H10Cl2N2O/c1-8-10(14)5-2-6-11(8)17-13(18)9-4-3-7-16-12(9)15/h2-7H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1682 kcal/mol

Physical Properties
Molecular Weight: 281.142 g/mol	logS: -4.03704	SlogP: 3.94912	Reactive groups: 0

Topological Properties
Globularity: 0.0240652	Sterimol/B1: 2.02743	Sterimol/B2: 2.73748	Sterimol/B3: 2.84684
Sterimol/B4: 7.24925	Sterimol/L: 14.3545

Surface and Volume Properties
Accessible surface: 466.446	Positive charged surface: 215.716	Negative charged surface: 250.731	Volume: 241.25
Hydrophobic surface: 420.736	Hydrophilic surface: 45.71

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.