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NANOSIN-ZINC04662700

 MMsINC code: MMs02209386
Type: Neutral
Formula: C12H10N2O4S
SMILES:   S(=O)(=O)(Nc1ccccc1[N+](=O)[O-])c1ccccc1
InChI:   InChI=1/C12H10N2O4S/c15-14(16)12-9-5-4-8-11(12)13-19(17,18)10-6-2-1-3-7-10/h1-9,13H

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Potential Energy
Epot(MMFF94)=60.1915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.288 g/mol  logS: -3.83695  SlogP: 2.3956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304862  Sterimol/B1: 2.82822  Sterimol/B2: 3.29923  Sterimol/B3: 5.76422
  Sterimol/B4: 5.88124  Sterimol/L: 10.814 
 
 Surface and Volume Properties
  Accessible surface: 440.417  Positive charged surface: 184.968  Negative charged surface: 255.449  Volume: 228.25
  Hydrophobic surface: 299.394  Hydrophilic surface: 141.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.