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ASINEX-ZINC04889933

 MMsINC code: MMs00395465
Type: Neutral
Formula: C18H25F3N2O2S
SMILES:   s1cccc1C(N(C(=O)C(F)(F)F)CCCC)C(=O)NC1CCCCC1
InChI:   InChI=1/C18H25F3N2O2S/c1-2-3-11-23(17(25)18(19,20)21)15(14-10-7-12-26-14)16(24)22-13-8-5-4-6-9-13/h7,10,12-13,15H,2-6,8-9,11H2,1H3,(H,22,24)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=115.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.47 g/mol  logS: -5.00259  SlogP: 4.9445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144291  Sterimol/B1: 1.969  Sterimol/B2: 3.08212  Sterimol/B3: 6.2844
  Sterimol/B4: 10.7513  Sterimol/L: 14.4826 
 
 Surface and Volume Properties
  Accessible surface: 626.114  Positive charged surface: 372.945  Negative charged surface: 253.169  Volume: 348.5
  Hydrophobic surface: 490.364  Hydrophilic surface: 135.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.