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ENAMINE-ZINC03434572

 MMsINC code: MMs01439771
Type: Neutral
Formula: C16H18Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1CC(OCC(=O)NC(=O)NC1CCCC1)=O
InChI:   InChI=1/C16H18Cl2N2O4/c17-11-6-5-10(13(18)8-11)7-15(22)24-9-14(21)20-16(23)19-12-3-1-2-4-12/h5-6,8,12H,1-4,7,9H2,(H2,19,20,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.236 g/mol  logS: -4.65368  SlogP: 2.84747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0317146  Sterimol/B1: 2.65693  Sterimol/B2: 3.03469  Sterimol/B3: 4.38793
  Sterimol/B4: 5.57246  Sterimol/L: 21.2237 
 
 Surface and Volume Properties
  Accessible surface: 634.08  Positive charged surface: 354.49  Negative charged surface: 279.59  Volume: 322
  Hydrophobic surface: 503.855  Hydrophilic surface: 130.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.