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CHEMSTAR-ZINC04545319

 MMsINC code: MMs01116724
Type: Neutral
Formula: C23H17ClN2O3
SMILES:   Clc1cc2cc(oc2cc1)C(=O)N\N=C\c1ccccc1OCc1ccccc1
InChI:   InChI=1/C23H17ClN2O3/c24-19-10-11-21-18(12-19)13-22(29-21)23(27)26-25-14-17-8-4-5-9-20(17)28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,26,27)/b25-14+

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Potential Energy
Epot(MMFF94)=115.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.853 g/mol  logS: -7.68897  SlogP: 5.6955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304867  Sterimol/B1: 2.29688  Sterimol/B2: 3.6171  Sterimol/B3: 3.61928
  Sterimol/B4: 10.4717  Sterimol/L: 19.3544 
 
 Surface and Volume Properties
  Accessible surface: 677.905  Positive charged surface: 372.706  Negative charged surface: 299.252  Volume: 372.625
  Hydrophobic surface: 606.998  Hydrophilic surface: 70.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.