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ASINEX-ZINC04570675

 MMsINC code: MMs00352943
Type: Neutral
Formula: C18H25F3N2O2S
SMILES:   s1cccc1C(N(C(=O)C(F)(F)F)CCC(C)C)C(=O)NC1CCCC1
InChI:   InChI=1/C18H25F3N2O2S/c1-12(2)9-10-23(17(25)18(19,20)21)15(14-8-5-11-26-14)16(24)22-13-6-3-4-7-13/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H,22,24)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=127.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.47 g/mol  logS: -5.00259  SlogP: 4.8004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189695  Sterimol/B1: 2.0922  Sterimol/B2: 4.07479  Sterimol/B3: 7.32866
  Sterimol/B4: 8.31982  Sterimol/L: 14.2722 
 
 Surface and Volume Properties
  Accessible surface: 623.16  Positive charged surface: 359.543  Negative charged surface: 263.617  Volume: 347.125
  Hydrophobic surface: 470.654  Hydrophilic surface: 152.506
 
 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.