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ACROSORGANICS-ZINC04284435

 MMsINC code: MMs00018099
Type: Neutral
Formula: C6H7NO3S
SMILES:   S(=O)(=O)(NO)c1ccccc1
InChI:   InChI=1/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H

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Potential Energy
Epot(MMFF94)=38.7571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.192 g/mol  logS: -1.41488  SlogP: 0.3541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155782  Sterimol/B1: 2.85137  Sterimol/B2: 3.55901  Sterimol/B3: 3.8774
  Sterimol/B4: 3.91502  Sterimol/L: 9.70869 
 
 Surface and Volume Properties
  Accessible surface: 333.534  Positive charged surface: 157.688  Negative charged surface: 175.845  Volume: 139.375
  Hydrophobic surface: 183.629  Hydrophilic surface: 149.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.