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ENAMINE-ZINC06167930

 MMsINC code: MMs01659193
Type: Neutral
Formula: C19H20FN4O3S+
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1ccc(F)cc1
InChI:   InChI=1/C19H19FN4O3S/c20-15-6-8-16(9-7-15)28(26,27)23-18-5-2-1-4-17(18)19(25)22-10-3-12-24-13-11-21-14-24/h1-2,4-9,11,13-14,23H,3,10,12H2,(H,22,25)/p+1

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Potential Energy
Epot(MMFF94)=35.987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.458 g/mol  logS: -3.95778  SlogP: 2.3286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102186  Sterimol/B1: 2.29457  Sterimol/B2: 2.45288  Sterimol/B3: 6.9081
  Sterimol/B4: 7.94946  Sterimol/L: 17.5522 
 
 Surface and Volume Properties
  Accessible surface: 656.146  Positive charged surface: 431.428  Negative charged surface: 224.718  Volume: 361.5
  Hydrophobic surface: 445.417  Hydrophilic surface: 210.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 2
  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


MMs01659194
ENAMINE-ZINC06167930