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CHEMSTAR-ZINC03195463

 MMsINC code: MMs01085395
Type: Neutral
Formula: C22H14N2O5
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(=O)c1cc([N+](=O)[O-])ccc1)c1cc(ccc1)
C
InChI:   InChI=1/C22H14N2O5/c1-13-4-2-6-16(10-13)23-21(26)18-9-8-15(12-19(18)22(23)27)20(25)14-5-3-7-17(11-14)24(28)29/h2-12H,1H3

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Potential Energy
Epot(MMFF94)=139.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.363 g/mol  logS: -7.09555  SlogP: 3.93482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224386  Sterimol/B1: 2.79998  Sterimol/B2: 3.30767  Sterimol/B3: 4.99012
  Sterimol/B4: 6.0931  Sterimol/L: 18.4053 
 
 Surface and Volume Properties
  Accessible surface: 600.122  Positive charged surface: 274.354  Negative charged surface: 325.768  Volume: 339.125
  Hydrophobic surface: 427.859  Hydrophilic surface: 172.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.