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CHEMBLOCK-ZINC02492449

 MMsINC code: MMs00532264
Type: Neutral
Formula: C17H26F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(CCCC)C1=O)NC(=O)CCC1CCCCC1
InChI:   InChI=1/C17H26F3N3O3/c1-2-3-11-23-14(25)16(17(18,19)20,22-15(23)26)21-13(24)10-9-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H,21,24)(H,22,26)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=38.4882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.407 g/mol  logS: -5.58862  SlogP: 3.4935  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0657072  Sterimol/B1: 2.22253  Sterimol/B2: 3.44756  Sterimol/B3: 3.44859
  Sterimol/B4: 9.90591  Sterimol/L: 16.3373 
 
 Surface and Volume Properties
  Accessible surface: 624.88  Positive charged surface: 416.465  Negative charged surface: 208.415  Volume: 336
  Hydrophobic surface: 408.086  Hydrophilic surface: 216.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.