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CHEMSTAR-ZINC03143018

 MMsINC code: MMs01083892
Type: Neutral
Formula: C30H20N2O6
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(=O)c1ccc([N+](=O)[O-])cc1)c1cc(ccc1)
C(=O)c1cc(C)c(cc1)C
InChI:   InChI=1/C30H20N2O6/c1-17-6-7-21(14-18(17)2)28(34)20-4-3-5-24(15-20)31-29(35)25-13-10-22(16-26(25)30(31)36)27(33)19-8-11-23(12-9-19)32(37)38/h3-16H,1-2H3

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Potential Energy
Epot(MMFF94)=208.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.498 g/mol  logS: -9.64228  SlogP: 5.47424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141544  Sterimol/B1: 2.55026  Sterimol/B2: 4.34938  Sterimol/B3: 4.4295
  Sterimol/B4: 7.276  Sterimol/L: 23.4494 
 
 Surface and Volume Properties
  Accessible surface: 771.146  Positive charged surface: 363.453  Negative charged surface: 407.692  Volume: 452.75
  Hydrophobic surface: 548.698  Hydrophilic surface: 222.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.