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ENAMINE-ZINC00571645

 MMsINC code: MMs01233422
Type: Neutral
Formula: C13H11ClN2O4S
SMILES:   Clc1ccc(cc1)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C13H11ClN2O4S/c14-11-3-1-10(2-4-11)9-15-21(19,20)13-7-5-12(6-8-13)16(17)18/h1-8,15H,9H2

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Potential Energy
Epot(MMFF94)=36.1407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.76 g/mol  logS: -4.51528  SlogP: 2.9931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971422  Sterimol/B1: 2.94783  Sterimol/B2: 3.73061  Sterimol/B3: 3.93227
  Sterimol/B4: 6.09303  Sterimol/L: 16.5803 
 
 Surface and Volume Properties
  Accessible surface: 520.88  Positive charged surface: 192.548  Negative charged surface: 328.332  Volume: 263.875
  Hydrophobic surface: 355.062  Hydrophilic surface: 165.818
 
 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.