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ENAMINE-ZINC03464262

 MMsINC code: MMs01458759
Type: Neutral
Formula: C20H19ClN2O4
SMILES:   Clc1ccc(cc1)C1(NC(=O)N(Cc2ccc(cc2)C(OC)=O)C1=O)CC
InChI:   InChI=1/C20H19ClN2O4/c1-3-20(15-8-10-16(21)11-9-15)18(25)23(19(26)22-20)12-13-4-6-14(7-5-13)17(24)27-2/h4-11H,3,12H2,1-2H3,(H,22,26)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=59.1977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.835 g/mol  logS: -5.21529  SlogP: 4.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781569  Sterimol/B1: 2.27372  Sterimol/B2: 2.46253  Sterimol/B3: 5.32037
  Sterimol/B4: 6.13568  Sterimol/L: 19.5967 
 
 Surface and Volume Properties
  Accessible surface: 616.05  Positive charged surface: 347.69  Negative charged surface: 268.36  Volume: 351.75
  Hydrophobic surface: 480.121  Hydrophilic surface: 135.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.