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IBS-ZINC05149450

 MMsINC code: MMs01924476
Type: Neutral
Formula: C20H30F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C1=O)C1CCCCCC1)NC(=O)CCC1CCCCC1
InChI:   InChI=1/C20H30F3N3O3/c21-20(22,23)19(24-16(27)13-12-14-8-4-3-5-9-14)17(28)26(18(29)25-19)15-10-6-1-2-7-11-15/h14-15H,1-13H2,(H,24,27)(H,25,29)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=64.8545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.472 g/mol  logS: -6.53078  SlogP: 4.4162  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0613709  Sterimol/B1: 2.50521  Sterimol/B2: 3.00205  Sterimol/B3: 4.39311
  Sterimol/B4: 8.66653  Sterimol/L: 18.1839 
 
 Surface and Volume Properties
  Accessible surface: 658.296  Positive charged surface: 446.16  Negative charged surface: 212.136  Volume: 375
  Hydrophobic surface: 476.607  Hydrophilic surface: 181.689
 
 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.