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PUBCHEM-ZINC03626400

 MMsINC code: MMs03025937
Type: Neutral
Formula: C24H22N2O7
SMILES:   O1C(C(O)CN2C=CC(=O)NC2=O)C(OCc2ccccc2)=C(OCc2ccccc2)C1=O
InChI:   InChI=1/C24H22N2O7/c27-18(13-26-12-11-19(28)25-24(26)30)20-21(31-14-16-7-3-1-4-8-16)22(23(29)33-20)32-15-17-9-5-2-6-10-17/h1-12,18,20,27H,13-15H2,(H,25,28,30)/t18-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=79.6415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.447 g/mol  logS: -4.87597  SlogP: 2.5162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11139  Sterimol/B1: 2.36098  Sterimol/B2: 3.67728  Sterimol/B3: 4.77145
  Sterimol/B4: 10.7937  Sterimol/L: 18.3103 
 
 Surface and Volume Properties
  Accessible surface: 724.566  Positive charged surface: 390.837  Negative charged surface: 333.729  Volume: 410.25
  Hydrophobic surface: 507.347  Hydrophilic surface: 217.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.