MMsINC Database Search


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MMsINC code: MMs00624258

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO

SMILES:

Clc1ccc(Cl)cc1NC(=O)Cc1ccc(cc1)C

InChI:

InChI=1/C15H13Cl2NO/c1-10-2-4-11(5-3-10)8-15(19)18-14-9-12(16)6-7-13(14)17/h2-7,9H,8H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8496 kcal/mol

Physical Properties
Molecular Weight: 294.181 g/mol	logS: -5.35884	SlogP: 4.48299	Reactive groups: 0

Topological Properties
Globularity: 0.0714267	Sterimol/B1: 3.22977	Sterimol/B2: 4.26555	Sterimol/B3: 4.54758
Sterimol/B4: 5.69184	Sterimol/L: 15.4231

Surface and Volume Properties
Accessible surface: 527.124	Positive charged surface: 245.296	Negative charged surface: 281.828	Volume: 265.75
Hydrophobic surface: 498.346	Hydrophilic surface: 28.778

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.