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CHEMBRIDGE-ZINC04755049

 MMsINC code: MMs00784596
Type: Neutral
Formula: C20H16N2O7
SMILES:   O1c2cc(ccc2OC1)\C=C/1\C(=O)N(c2cc(OC)ccc2OC)C(=O)NC\1=O
InChI:   InChI=1/C20H16N2O7/c1-26-12-4-6-15(27-2)14(9-12)22-19(24)13(18(23)21-20(22)25)7-11-3-5-16-17(8-11)29-10-28-16/h3-9H,10H2,1-2H3,(H,21,23,25)/b13-7-

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Potential Energy
Epot(MMFF94)=112.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.355 g/mol  logS: -4.58483  SlogP: 2.0989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220668  Sterimol/B1: 2.63726  Sterimol/B2: 2.97638  Sterimol/B3: 6.17874
  Sterimol/B4: 9.25256  Sterimol/L: 13.7479 
 
 Surface and Volume Properties
  Accessible surface: 623.398  Positive charged surface: 428.31  Negative charged surface: 195.087  Volume: 341.75
  Hydrophobic surface: 434.861  Hydrophilic surface: 188.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.