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ASINEX-ZINC00337951

 MMsINC code: MMs00120596
Type: Neutral
Formula: C14H10N2O4S2
SMILES:   s1c2cc([N+](=O)[O-])ccc2nc1S(=O)(=O)Cc1ccccc1
InChI:   InChI=1/C14H10N2O4S2/c17-16(18)11-6-7-12-13(8-11)21-14(15-12)22(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=89.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.376 g/mol  logS: -5.37055  SlogP: 3.4448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210751  Sterimol/B1: 2.4978  Sterimol/B2: 3.67376  Sterimol/B3: 3.86711
  Sterimol/B4: 4.07168  Sterimol/L: 18.0472 
 
 Surface and Volume Properties
  Accessible surface: 530.134  Positive charged surface: 215.267  Negative charged surface: 314.867  Volume: 270.125
  Hydrophobic surface: 368.853  Hydrophilic surface: 161.281
 
 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.