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IBS-ZINC02207680

 MMsINC code: MMs01803040
Type: Neutral
Formula: C15H22F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(CC(C)C)C1=O)NC(=O)C1CCCCC1
InChI:   InChI=1/C15H22F3N3O3/c1-9(2)8-21-12(23)14(15(16,17)18,20-13(21)24)19-11(22)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,19,22)(H,20,24)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=42.1224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.353 g/mol  logS: -3.93128  SlogP: 2.5692  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0815821  Sterimol/B1: 2.94331  Sterimol/B2: 3.00236  Sterimol/B3: 4.62788
  Sterimol/B4: 5.64113  Sterimol/L: 16.4799 
 
 Surface and Volume Properties
  Accessible surface: 543.086  Positive charged surface: 349.495  Negative charged surface: 193.591  Volume: 299.125
  Hydrophobic surface: 334.505  Hydrophilic surface: 208.581
 
 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.