MMsINC Database Search


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MMsINC code: MMs01547286

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(NC(=O)COc2ccccc2C(=O)N)cc(Cl)c1

InChI:

InChI=1/C15H12Cl2N2O3/c16-9-5-10(17)7-11(6-9)19-14(20)8-22-13-4-2-1-3-12(13)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2672 kcal/mol

Physical Properties
Molecular Weight: 339.178 g/mol	logS: -5.15239	SlogP: 3.1098	Reactive groups: 0

Topological Properties
Globularity: 0.0152461	Sterimol/B1: 3.04235	Sterimol/B2: 3.40722	Sterimol/B3: 3.44174
Sterimol/B4: 6.37202	Sterimol/L: 16.8115

Surface and Volume Properties
Accessible surface: 564.323	Positive charged surface: 262.282	Negative charged surface: 302.042	Volume: 282.625
Hydrophobic surface: 423.363	Hydrophilic surface: 140.96

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.