MMsINC Database Search


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MMsINC code: MMs02912925

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O

SMILES:

Clc1ccccc1CC(=O)Nc1ncc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9291 kcal/mol

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

Topological Properties
Globularity: 0.0804694	Sterimol/B1: 2.42317	Sterimol/B2: 3.91885	Sterimol/B3: 4.06262
Sterimol/B4: 5.9466	Sterimol/L: 15.0737

Surface and Volume Properties
Accessible surface: 492.363	Positive charged surface: 237.498	Negative charged surface: 254.865	Volume: 243.375
Hydrophobic surface: 439.177	Hydrophilic surface: 53.186

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.