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CHEMDIV-ZINC06895919

 MMsINC code: MMs01058117
Type: Neutral
Formula: C12H10FNO2S
SMILES:   s1c(ccc1C(O)=O)CNc1ccccc1F
InChI:   InChI=1/C12H10FNO2S/c13-9-3-1-2-4-10(9)14-7-8-5-6-11(17-8)12(15)16/h1-6,14H,7H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=45.3628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.281 g/mol  logS: -3.17321  SlogP: 3.4639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623584  Sterimol/B1: 2.38515  Sterimol/B2: 2.87957  Sterimol/B3: 4.0484
  Sterimol/B4: 4.92947  Sterimol/L: 15.3451 
 
 Surface and Volume Properties
  Accessible surface: 459.757  Positive charged surface: 224.124  Negative charged surface: 235.633  Volume: 217.625
  Hydrophobic surface: 340.143  Hydrophilic surface: 119.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01058118
CHEMDIV-ZINC06895919