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ENAMINE-ZINC04484611

 MMsINC code: MMs01540921
Type: Neutral
Formula: C14H13F4NOS
SMILES:   S(=O)(N(CC(F)(F)C(F)F)C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C14H13F4NOS/c1-19(9-14(17,18)13(15)16)21(20)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9H2,1H3/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=99.3972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.322 g/mol  logS: -4.55725  SlogP: 4.5344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612073  Sterimol/B1: 2.23458  Sterimol/B2: 3.63703  Sterimol/B3: 4.86023
  Sterimol/B4: 4.94899  Sterimol/L: 15.1589 
 
 Surface and Volume Properties
  Accessible surface: 488.901  Positive charged surface: 252.842  Negative charged surface: 227.426  Volume: 260.25
  Hydrophobic surface: 333.511  Hydrophilic surface: 155.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.