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ENAMINE-ZINC03578283

 MMsINC code: MMs01516453
Type: Neutral
Formula: C17H14F2N2O4S
SMILES:   S1(=O)(=O)CC=C(NNC(=O)COc2ccccc2F)c2cc(F)ccc12
InChI:   InChI=1/C17H14F2N2O4S/c18-11-5-6-16-12(9-11)14(7-8-26(16,23)24)20-21-17(22)10-25-15-4-2-1-3-13(15)19/h1-7,9,20H,8,10H2,(H,21,22)

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Potential Energy
Epot(MMFF94)=116.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.371 g/mol  logS: -4.52388  SlogP: 1.7928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104586  Sterimol/B1: 2.80254  Sterimol/B2: 3.7656  Sterimol/B3: 3.89109
  Sterimol/B4: 6.55991  Sterimol/L: 18.4547 
 
 Surface and Volume Properties
  Accessible surface: 597.918  Positive charged surface: 286.878  Negative charged surface: 311.04  Volume: 308.375
  Hydrophobic surface: 449.855  Hydrophilic surface: 148.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.