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CHEMBRIDGE-ZINC00754628

 MMsINC code: MMs00643520
Type: Neutral
Formula: C31H20N2O7
SMILES:   Oc1cc(ccc1N1C(=O)c2c(ccc(c2)C(=O)c2cc3c(cc2)C(=O)N(c2ccc(cc2
O)C)C3=O)C1=O)C
InChI:   InChI=1/C31H20N2O7/c1-15-3-9-23(25(34)11-15)32-28(37)19-7-5-17(13-21(19)30(32)39)27(36)18-6-8-20-22(14-18)31(40)33(29(20)38)24-10-4-16(2)12-26(24)35/h3-14,34-35H,1-2H3

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Potential Energy
Epot(MMFF94)=196.555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 532.508 g/mol  logS: -8.42905  SlogP: 4.54684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515606  Sterimol/B1: 2.46333  Sterimol/B2: 3.14505  Sterimol/B3: 4.50285
  Sterimol/B4: 11.8017  Sterimol/L: 19.7898 
 
 Surface and Volume Properties
  Accessible surface: 816.829  Positive charged surface: 424.572  Negative charged surface: 392.258  Volume: 469.875
  Hydrophobic surface: 563.764  Hydrophilic surface: 253.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.