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CHEMBRIDGE-ZINC01929707

 MMsINC code: MMs00700201
Type: Neutral
Formula: C20H22ClNO6
SMILES:   Clc1cc(OC)c(NC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC
InChI:   InChI=1/C20H22ClNO6/c1-24-15-11-14(16(25-2)10-13(15)21)22-19(23)7-6-12-8-17(26-3)20(28-5)18(9-12)27-4/h6-11H,1-5H3,(H,22,23)/b7-6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.85 g/mol  logS: -4.84688  SlogP: 4.0349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301133  Sterimol/B1: 2.71675  Sterimol/B2: 2.71995  Sterimol/B3: 4.2345
  Sterimol/B4: 9.21252  Sterimol/L: 19.6287 
 
 Surface and Volume Properties
  Accessible surface: 704.6  Positive charged surface: 524.647  Negative charged surface: 179.953  Volume: 373.625
  Hydrophobic surface: 633.113  Hydrophilic surface: 71.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.