MMsINC Database Search


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MMsINC code: MMs01388791

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO

SMILES:

Clc1ccc(cc1)C(NC(=O)CCl)c1ccccc1

InChI:

InChI=1/C15H13Cl2NO/c16-10-14(19)18-15(11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,15H,10H2,(H,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.391 kcal/mol

Physical Properties
Molecular Weight: 294.181 g/mol	logS: -4.79848	SlogP: 3.8799	Reactive groups: 1

Topological Properties
Globularity: 0.295482	Sterimol/B1: 2.37547	Sterimol/B2: 3.44921	Sterimol/B3: 4.35316
Sterimol/B4: 9.22609	Sterimol/L: 13.4677

Surface and Volume Properties
Accessible surface: 514.788	Positive charged surface: 223.101	Negative charged surface: 291.687	Volume: 267.625
Hydrophobic surface: 409.965	Hydrophilic surface: 104.823

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