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CHEMSTAR-ZINC03142885

 MMsINC code: MMs01083874
Type: Neutral
Formula: C28H16N2O6
SMILES:   Oc1ccc(N2C(=O)c3c(ccc(c3)-c3cc4c(cc3)C(=O)N(C4=O)c3ccc(O)cc3
)C2=O)cc1
InChI:   InChI=1/C28H16N2O6/c31-19-7-3-17(4-8-19)29-25(33)21-11-1-15(13-23(21)27(29)35)16-2-12-22-24(14-16)28(36)30(26(22)34)18-5-9-20(32)10-6-18/h1-14,31-32H

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Potential Energy
Epot(MMFF94)=154.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.444 g/mol  logS: -7.83478  SlogP: 4.366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000703171  Sterimol/B1: 2.09896  Sterimol/B2: 2.19161  Sterimol/B3: 3.56756
  Sterimol/B4: 5.83848  Sterimol/L: 25.1554 
 
 Surface and Volume Properties
  Accessible surface: 721.325  Positive charged surface: 357.281  Negative charged surface: 353.423  Volume: 416.5
  Hydrophobic surface: 476.588  Hydrophilic surface: 244.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.