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ASINEX-ZINC00753539

 MMsINC code: MMs00156805
Type: Neutral
Formula: C23H17Cl2N3O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(Cc1ccccc1)c1ncccc1
InChI:   InChI=1/C23H17Cl2N3O2/c1-15-20(22(27-30-15)21-17(24)10-7-11-18(21)25)23(29)28(19-12-5-6-13-26-19)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.314 g/mol  logS: -6.8934  SlogP: 6.46522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266259  Sterimol/B1: 2.1164  Sterimol/B2: 2.68807  Sterimol/B3: 6.84061
  Sterimol/B4: 9.46846  Sterimol/L: 14.2543 
 
 Surface and Volume Properties
  Accessible surface: 615.588  Positive charged surface: 288.208  Negative charged surface: 327.381  Volume: 388.5
  Hydrophobic surface: 580.109  Hydrophilic surface: 35.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.