MMsINC Database Search


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MMsINC code: MMs02673665

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)NCCc1ccccc1

InChI:

InChI=1/C15H14Cl2N2O/c16-12-6-7-13(17)14(10-12)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1086 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -4.72614	SlogP: 4.35757	Reactive groups: 0

Topological Properties
Globularity: 0.0478401	Sterimol/B1: 3.35129	Sterimol/B2: 4.04937	Sterimol/B3: 4.62362
Sterimol/B4: 5.67686	Sterimol/L: 16.9142

Surface and Volume Properties
Accessible surface: 551.962	Positive charged surface: 259.677	Negative charged surface: 292.285	Volume: 280.125
Hydrophobic surface: 492.547	Hydrophilic surface: 59.415

Pharmacophoric Properties
Hydrogen bond donors: 2	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.