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ENAMINE-ZINC03345360

 MMsINC code: MMs01385919
Type: Neutral
Formula: C16H15FN4O3S
SMILES:   s1cc(nc1NC(=O)CN1C(=O)C(NC1=O)(C)C)-c1ccc(F)cc1
InChI:   InChI=1/C16H15FN4O3S/c1-16(2)13(23)21(15(24)20-16)7-12(22)19-14-18-11(8-25-14)9-3-5-10(17)6-4-9/h3-6,8H,7H2,1-2H3,(H,20,24)(H,18,19,22)

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Potential Energy
Epot(MMFF94)=42.7563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.385 g/mol  logS: -4.84687  SlogP: 2.2181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026881  Sterimol/B1: 3.05089  Sterimol/B2: 3.48446  Sterimol/B3: 4.41669
  Sterimol/B4: 4.8907  Sterimol/L: 19.4423 
 
 Surface and Volume Properties
  Accessible surface: 589.998  Positive charged surface: 313.844  Negative charged surface: 276.154  Volume: 309.875
  Hydrophobic surface: 392.001  Hydrophilic surface: 197.997
 
 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.