MMsINC Database Search


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MMsINC code: MMs00076613

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NC(C)(C)C

InChI:

InChI=1/C15H16Cl2N2O2/c1-8-11(14(20)18-15(2,3)4)13(19-21-8)12-9(16)6-5-7-10(12)17/h5-7H,1-4H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4215 kcal/mol

Physical Properties
Molecular Weight: 327.211 g/mol	logS: -5.33614	SlogP: 4.48512	Reactive groups: 0

Topological Properties
Globularity: 0.198912	Sterimol/B1: 2.35435	Sterimol/B2: 4.50354	Sterimol/B3: 4.67885
Sterimol/B4: 8.19657	Sterimol/L: 12.0108

Surface and Volume Properties
Accessible surface: 514.466	Positive charged surface: 246.278	Negative charged surface: 268.188	Volume: 288.875
Hydrophobic surface: 429.384	Hydrophilic surface: 85.082

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.