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CHEMSTAR-ZINC04179355

 MMsINC code: MMs01110324
Type: Neutral
Formula: C24H18N2O5
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(=O)c1cc([N+](=O)[O-])ccc1)c1ccc(cc1)
C(C)C
InChI:   InChI=1/C24H18N2O5/c1-14(2)15-6-9-18(10-7-15)25-23(28)20-11-8-17(13-21(20)24(25)29)22(27)16-4-3-5-19(12-16)26(30)31/h3-14H,1-2H3

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Potential Energy
Epot(MMFF94)=146.043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.417 g/mol  logS: -8.12599  SlogP: 4.7498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283906  Sterimol/B1: 2.13539  Sterimol/B2: 4.83461  Sterimol/B3: 5.2934
  Sterimol/B4: 6.59017  Sterimol/L: 19.2032 
 
 Surface and Volume Properties
  Accessible surface: 654.526  Positive charged surface: 326.084  Negative charged surface: 328.441  Volume: 372.875
  Hydrophobic surface: 439.415  Hydrophilic surface: 215.111
 
 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.