MMsINC Database Search


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MMsINC code: MMs00189006

Type: Neutral
Formula: C₁₇H₁₃Cl₃N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(Cl)cc2)ccc1Cl

InChI:

InChI=1/C17H13Cl3N2O2/c18-11-1-4-13(5-2-11)22-9-10(7-16(22)23)17(24)21-12-3-6-14(19)15(20)8-12/h1-6,8,10H,7,9H2,(H,21,24)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9455 kcal/mol

Physical Properties
Molecular Weight: 383.662 g/mol	logS: -5.46752	SlogP: 4.6384	Reactive groups: 0

Topological Properties
Globularity: 0.0231125	Sterimol/B1: 2.86261	Sterimol/B2: 3.42023	Sterimol/B3: 3.77924
Sterimol/B4: 6.29632	Sterimol/L: 19.6322

Surface and Volume Properties
Accessible surface: 592.293	Positive charged surface: 245.738	Negative charged surface: 346.555	Volume: 318.375
Hydrophobic surface: 520.44	Hydrophilic surface: 71.853

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.