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ASINEX-ZINC04917674

 MMsINC code: MMs00404483
Type: Neutral
Formula: C19H14N4O4
SMILES:   O=C(Nc1ccncc1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C19H14N4O4/c24-18(13-5-7-15(8-6-13)23(26)27)22-17-4-2-1-3-16(17)19(25)21-14-9-11-20-12-10-14/h1-12H,(H,22,24)(H,20,21,25)

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Potential Energy
Epot(MMFF94)=123.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.345 g/mol  logS: -4.85695  SlogP: 3.4944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198493  Sterimol/B1: 2.68316  Sterimol/B2: 2.72442  Sterimol/B3: 2.97947
  Sterimol/B4: 10.0452  Sterimol/L: 16.4445 
 
 Surface and Volume Properties
  Accessible surface: 597.405  Positive charged surface: 318.735  Negative charged surface: 278.67  Volume: 320.375
  Hydrophobic surface: 442.262  Hydrophilic surface: 155.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.