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CHEMBLOCK-ZINC02503950

 MMsINC code: MMs00532579
Type: Neutral
Formula: C15H22F3N3O3
SMILES:   FC(F)(F)C1(NC(=O)N(C1=O)C1CCCCC1)NC(=O)CCCC
InChI:   InChI=1/C15H22F3N3O3/c1-2-3-9-11(22)19-14(15(16,17)18)12(23)21(13(24)20-14)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,19,22)(H,20,24)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=38.9458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.353 g/mol  logS: -4.05672  SlogP: 2.8558  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0710767  Sterimol/B1: 2.5969  Sterimol/B2: 2.80142  Sterimol/B3: 4.05652
  Sterimol/B4: 7.1283  Sterimol/L: 16.8527 
 
 Surface and Volume Properties
  Accessible surface: 562.526  Positive charged surface: 364.765  Negative charged surface: 197.762  Volume: 302.375
  Hydrophobic surface: 358.253  Hydrophilic surface: 204.273
 
 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.