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ENAMINE-ZINC05062211

 MMsINC code: MMs01580861
Type: Neutral
Formula: C23H21ClN2O2
SMILES:   Clc1ccccc1CNC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C23H21ClN2O2/c24-20-14-8-7-13-19(20)16-25-23(28)21(15-17-9-3-1-4-10-17)26-22(27)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,25,28)(H,26,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.886 g/mol  logS: -6.03514  SlogP: 4.26387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06423  Sterimol/B1: 2.45419  Sterimol/B2: 3.33842  Sterimol/B3: 4.94935
  Sterimol/B4: 9.19287  Sterimol/L: 18.2104 
 
 Surface and Volume Properties
  Accessible surface: 658.796  Positive charged surface: 345.686  Negative charged surface: 313.11  Volume: 375.75
  Hydrophobic surface: 601.245  Hydrophilic surface: 57.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.