MMsINC Database Search


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MMsINC code: MMs03435988

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccccc2)cc(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6325 kcal/mol

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

Topological Properties
Globularity: 0.0892257	Sterimol/B1: 3.60884	Sterimol/B2: 4.08627	Sterimol/B3: 4.24248
Sterimol/B4: 6.52788	Sterimol/L: 17.0348

Surface and Volume Properties
Accessible surface: 574.836	Positive charged surface: 260.354	Negative charged surface: 314.483	Volume: 302.125
Hydrophobic surface: 508.582	Hydrophilic surface: 66.254

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.