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CHEMBRIDGE-ZINC02881452

 MMsINC code: MMs00734103
Type: Neutral
Formula: C20H18N2O4
SMILES:   OC1(c2c(N(CC(=O)N)C1=O)cccc2)C1CCc2c(cccc2)C1=O
InChI:   InChI=1/C20H18N2O4/c21-17(23)11-22-16-8-4-3-7-14(16)20(26,19(22)25)15-10-9-12-5-1-2-6-13(12)18(15)24/h1-8,15,26H,9-11H2,(H2,21,23)/t15-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=97.5249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.374 g/mol  logS: -4.23422  SlogP: 1.46287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191461  Sterimol/B1: 3.27496  Sterimol/B2: 5.17508  Sterimol/B3: 5.43309
  Sterimol/B4: 5.96497  Sterimol/L: 14.278 
 
 Surface and Volume Properties
  Accessible surface: 554.437  Positive charged surface: 340.6  Negative charged surface: 213.837  Volume: 321.5
  Hydrophobic surface: 374.157  Hydrophilic surface: 180.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.