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ENAMINE-ZINC03208139

 MMsINC code: MMs01306709
Type: Neutral
Formula: C10H10F2N2OS
SMILES:   S(C(F)F)c1[nH]c2c(n1)cc(OCC)cc2
InChI:   InChI=1/C10H10F2N2OS/c1-2-15-6-3-4-7-8(5-6)14-10(13-7)16-9(11)12/h3-5,9H,2H2,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.265 g/mol  logS: -3.88918  SlogP: 3.6962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177062  Sterimol/B1: 2.36589  Sterimol/B2: 2.63807  Sterimol/B3: 2.63906
  Sterimol/B4: 5.55115  Sterimol/L: 15.0775 
 
 Surface and Volume Properties
  Accessible surface: 437.325  Positive charged surface: 238.478  Negative charged surface: 198.847  Volume: 206.5
  Hydrophobic surface: 241.891  Hydrophilic surface: 195.434
 
 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.