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CHEMBRIDGE-ZINC01188336

 MMsINC code: MMs00684053
Type: Neutral
Formula: C23H16Cl2N4O2
SMILES:   Clc1ccccc1C(=O)Nc1n(ncc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1
InChI:   InChI=1/C23H16Cl2N4O2/c24-15-10-12-16(13-11-15)27-23(31)19-14-26-29(17-6-2-1-3-7-17)21(19)28-22(30)18-8-4-5-9-20(18)25/h1-14H,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=153.01 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.313 g/mol  logS: -7.25861  SlogP: 5.6837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407281  Sterimol/B1: 2.86718  Sterimol/B2: 3.13164  Sterimol/B3: 4.50169
  Sterimol/B4: 9.51407  Sterimol/L: 18.2229 
 
 Surface and Volume Properties
  Accessible surface: 681.059  Positive charged surface: 325.489  Negative charged surface: 355.569  Volume: 392.5
  Hydrophobic surface: 621.056  Hydrophilic surface: 60.003
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.