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ASINEX-ZINC04955125

 MMsINC code: MMs00412892
Type: Neutral
Formula: C20H11N3O7
SMILES:   O(c1ccc([N+](=O)[O-])cc1)c1cc2c(cc1)C(=O)N(C2=O)c1ccc([N+](=
O)[O-])cc1
InChI:   InChI=1/C20H11N3O7/c24-19-17-10-9-16(30-15-7-5-14(6-8-15)23(28)29)11-18(17)20(25)21(19)12-1-3-13(4-2-12)22(26)27/h1-11H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.322 g/mol  logS: -7.12176  SlogP: 4.0959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527075  Sterimol/B1: 3.26321  Sterimol/B2: 3.61809  Sterimol/B3: 4.80273
  Sterimol/B4: 4.97953  Sterimol/L: 20.7607 
 
 Surface and Volume Properties
  Accessible surface: 616.638  Positive charged surface: 243.958  Negative charged surface: 372.68  Volume: 331.75
  Hydrophobic surface: 382.28  Hydrophilic surface: 234.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.