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CHEMBLOCK-ZINC02220358

 MMsINC code: MMs00530651
Type: Neutral
Formula: C17H24F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C1=O)C1CCCCC1)NC(=O)C1CCCCC1
InChI:   InChI=1/C17H24F3N3O3/c18-17(19,20)16(21-13(24)11-7-3-1-4-8-11)14(25)23(15(26)22-16)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,21,24)(H,22,26)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=45.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.391 g/mol  logS: -4.67167  SlogP: 3.2459  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0749111  Sterimol/B1: 3.43116  Sterimol/B2: 3.57642  Sterimol/B3: 3.58456
  Sterimol/B4: 5.87872  Sterimol/L: 16.8973 
 
 Surface and Volume Properties
  Accessible surface: 575.819  Positive charged surface: 381.552  Negative charged surface: 194.267  Volume: 323.125
  Hydrophobic surface: 403.081  Hydrophilic surface: 172.738
 
 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.