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ENAMINE-ZINC05021180

 MMsINC code: MMs01576816
Type: Neutral
Formula: C19H17FN4O3S
SMILES:   S(CC(=O)N(CC(=O)Nc1ccc(F)cc1)C)c1oc(nn1)-c1ccccc1
InChI:   InChI=1/C19H17FN4O3S/c1-24(11-16(25)21-15-9-7-14(20)8-10-15)17(26)12-28-19-23-22-18(27-19)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,25)

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Potential Energy
Epot(MMFF94)=94.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -7.33304  SlogP: 3.0649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308564  Sterimol/B1: 2.41262  Sterimol/B2: 2.5176  Sterimol/B3: 4.82778
  Sterimol/B4: 7.60474  Sterimol/L: 22.5124 
 
 Surface and Volume Properties
  Accessible surface: 678.286  Positive charged surface: 371.239  Negative charged surface: 307.047  Volume: 355.125
  Hydrophobic surface: 503.001  Hydrophilic surface: 175.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.