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CHEMDIV-ZINC03030946

 MMsINC code: MMs00905344
Type: Neutral
Formula: C14H10FNO2S
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(O)=O
InChI:   InChI=1/C14H10FNO2S/c15-10-3-1-9(2-4-10)8-16-11-5-6-19-13(11)7-12(16)14(17)18/h1-7H,8H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=40.2936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.303 g/mol  logS: -3.37654  SlogP: 3.8548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145143  Sterimol/B1: 3.50944  Sterimol/B2: 3.55609  Sterimol/B3: 5.0386
  Sterimol/B4: 5.27358  Sterimol/L: 12.3193 
 
 Surface and Volume Properties
  Accessible surface: 447.604  Positive charged surface: 199.004  Negative charged surface: 248.6  Volume: 237.25
  Hydrophobic surface: 356.613  Hydrophilic surface: 90.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00905345
CHEMDIV-ZINC03030946