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CHEMBLOCK-ZINC04615066

 MMsINC code: MMs00561916
Type: Neutral
Formula: C7H8FNO3S
SMILES:   S(=O)(=O)(N)c1cc(F)ccc1OC
InChI:   InChI=1/C7H8FNO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=6.10211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.209 g/mol  logS: -1.95685  SlogP: 0.4817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115637  Sterimol/B1: 2.43466  Sterimol/B2: 3.09475  Sterimol/B3: 3.30111
  Sterimol/B4: 7.65659  Sterimol/L: 9.63836 
 
 Surface and Volume Properties
  Accessible surface: 361.459  Positive charged surface: 203.228  Negative charged surface: 158.231  Volume: 160.75
  Hydrophobic surface: 232.655  Hydrophilic surface: 128.804
 
 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


MMs00561917
CHEMBLOCK-ZINC04615066