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ENAMINE-ZINC03888075

 MMsINC code: MMs01529157
Type: Neutral
Formula: C10H13ClN2O5S
SMILES:   Clc1ccc(S(=O)(=O)NC(COC)C)cc1[N+](=O)[O-]
InChI:   InChI=1/C10H13ClN2O5S/c1-7(6-18-2)12-19(16,17)8-3-4-9(11)10(5-8)13(14)15/h3-5,7,12H,6H2,1-2H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=42.3688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.742 g/mol  logS: -3.21723  SlogP: 1.5614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222345  Sterimol/B1: 2.20378  Sterimol/B2: 4.45772  Sterimol/B3: 4.84565
  Sterimol/B4: 6.27158  Sterimol/L: 13.6893 
 
 Surface and Volume Properties
  Accessible surface: 487.143  Positive charged surface: 247.959  Negative charged surface: 239.184  Volume: 246.625
  Hydrophobic surface: 319.768  Hydrophilic surface: 167.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.