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ASINEX-ZINC02747186

 MMsINC code: MMs00277409
Type: Neutral
Formula: C14H10N4O6
SMILES:   O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1)c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C14H10N4O6/c19-13(9-4-3-5-10(8-9)17(21)22)15-16-14(20)11-6-1-2-7-12(11)18(23)24/h1-8H,(H,15,19)(H,16,20)

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Potential Energy
Epot(MMFF94)=112.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.256 g/mol  logS: -5.16386  SlogP: 1.5778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0290338  Sterimol/B1: 2.25536  Sterimol/B2: 2.49315  Sterimol/B3: 3.96248
  Sterimol/B4: 6.28599  Sterimol/L: 17.7056 
 
 Surface and Volume Properties
  Accessible surface: 536.149  Positive charged surface: 207.104  Negative charged surface: 329.045  Volume: 266.375
  Hydrophobic surface: 298.236  Hydrophilic surface: 237.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.