MMsINC Database Search


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MMsINC code: MMs02216476

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1ccccc1NC(=O)N(Cc1ccc(Cl)cc1)C

InChI:

InChI=1/C15H14Cl2N2O/c1-19(10-11-6-8-12(16)9-7-11)15(20)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0266 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -4.55868	SlogP: 4.9237	Reactive groups: 0

Topological Properties
Globularity: 0.0622926	Sterimol/B1: 2.33666	Sterimol/B2: 3.44104	Sterimol/B3: 4.04004
Sterimol/B4: 7.22782	Sterimol/L: 15.0726

Surface and Volume Properties
Accessible surface: 523.684	Positive charged surface: 258.684	Negative charged surface: 265	Volume: 279.25
Hydrophobic surface: 491.286	Hydrophilic surface: 32.398

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.