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ENAMINE-ZINC03509261

 MMsINC code: MMs01481722
Type: Neutral
Formula: C16H15ClN2O4
SMILES:   Clc1cc(OC)c(NC(=O)COC(=O)c2ccncc2)cc1C
InChI:   InChI=1/C16H15ClN2O4/c1-10-7-13(14(22-2)8-12(10)17)19-15(20)9-23-16(21)11-3-5-18-6-4-11/h3-8H,9H2,1-2H3,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.8426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.759 g/mol  logS: -3.45004  SlogP: 2.84752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171248  Sterimol/B1: 1.969  Sterimol/B2: 2.59322  Sterimol/B3: 3.30349
  Sterimol/B4: 8.72407  Sterimol/L: 17.8331 
 
 Surface and Volume Properties
  Accessible surface: 579.259  Positive charged surface: 378.344  Negative charged surface: 200.915  Volume: 296
  Hydrophobic surface: 478.01  Hydrophilic surface: 101.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.