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ENAMINE-ZINC02631823

 MMsINC code: MMs01262838
Type: Neutral
Formula: C19H17FN2O3S
SMILES:   S(=O)(=O)(N\N=C\c1oc(cc1)-c1ccc(F)cc1)c1cc(ccc1C)C
InChI:   InChI=1/C19H17FN2O3S/c1-13-3-4-14(2)19(11-13)26(23,24)22-21-12-17-9-10-18(25-17)15-5-7-16(20)8-6-15/h3-12,22H,1-2H3/b21-12+

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Potential Energy
Epot(MMFF94)=104.592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.42 g/mol  logS: -6.58876  SlogP: 4.01494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831721  Sterimol/B1: 2.04021  Sterimol/B2: 4.39758  Sterimol/B3: 4.46224
  Sterimol/B4: 9.59645  Sterimol/L: 15.2297 
 
 Surface and Volume Properties
  Accessible surface: 627.449  Positive charged surface: 322.864  Negative charged surface: 304.584  Volume: 332.5
  Hydrophobic surface: 524.867  Hydrophilic surface: 102.582
 
 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: no related molecules available.