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ENAMINE-ZINC05262903

 MMsINC code: MMs01604260
Type: Neutral
Formula: C19H26FN3OS
SMILES:   S(CC(=O)NC(C)c1ccc(F)cc1)c1nc(C)c(n1CC(C)C)C
InChI:   InChI=1/C19H26FN3OS/c1-12(2)10-23-15(5)13(3)22-19(23)25-11-18(24)21-14(4)16-6-8-17(20)9-7-16/h6-9,12,14H,10-11H2,1-5H3,(H,21,24)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=51.1597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.501 g/mol  logS: -5.42644  SlogP: 4.62644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381191  Sterimol/B1: 2.09452  Sterimol/B2: 3.39533  Sterimol/B3: 3.67642
  Sterimol/B4: 8.94146  Sterimol/L: 18.2417 
 
 Surface and Volume Properties
  Accessible surface: 656.198  Positive charged surface: 407.514  Negative charged surface: 248.683  Volume: 360.375
  Hydrophobic surface: 524.385  Hydrophilic surface: 131.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.