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ENAMINE-ZINC03338935

 MMsINC code: MMs01381760
Type: Neutral
Formula: C10H14F2N2O2S
SMILES:   S(=O)(=O)(NCCN(C)C)c1ccc(F)cc1F
InChI:   InChI=1/C10H14F2N2O2S/c1-14(2)6-5-13-17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=12.3545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.296 g/mol  logS: -1.71071  SlogP: 0.8047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974176  Sterimol/B1: 2.9359  Sterimol/B2: 3.51495  Sterimol/B3: 4.74875
  Sterimol/B4: 5.63879  Sterimol/L: 13.3047 
 
 Surface and Volume Properties
  Accessible surface: 448.026  Positive charged surface: 277.983  Negative charged surface: 170.043  Volume: 222
  Hydrophobic surface: 361.503  Hydrophilic surface: 86.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01381761
ENAMINE-ZINC03338935