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ENAMINE-ZINC03277589

 MMsINC code: MMs01346075
Type: Neutral
Formula: C21H16Cl2N2O4
SMILES:   Clc1cncc(Cl)c1N(C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1
InChI:   InChI=1/C21H16Cl2N2O4/c1-28-15-7-3-13(4-8-15)20(26)25(19-17(22)11-24-12-18(19)23)21(27)14-5-9-16(29-2)10-6-14/h3-12H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=203.976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.275 g/mol  logS: -5.71529  SlogP: 4.8928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604091  Sterimol/B1: 4.25076  Sterimol/B2: 4.43825  Sterimol/B3: 5.02612
  Sterimol/B4: 5.20002  Sterimol/L: 18.946 
 
 Surface and Volume Properties
  Accessible surface: 605.462  Positive charged surface: 356.667  Negative charged surface: 248.795  Volume: 366.625
  Hydrophobic surface: 517.683  Hydrophilic surface: 87.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.