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ASINEX-ZINC04570679

 MMsINC code: MMs00352946
Type: Neutral
Formula: C17H23F3N2O2S
SMILES:   s1cccc1C(N(C(=O)C(F)(F)F)CCCC)C(=O)NC1CCCC1
InChI:   InChI=1/C17H23F3N2O2S/c1-2-3-10-22(16(24)17(18,19)20)14(13-9-6-11-25-13)15(23)21-12-7-4-5-8-12/h6,9,11-12,14H,2-5,7-8,10H2,1H3,(H,21,23)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=118.37 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.443 g/mol  logS: -4.48737  SlogP: 4.5544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144075  Sterimol/B1: 2.67092  Sterimol/B2: 5.2239  Sterimol/B3: 5.34958
  Sterimol/B4: 6.10659  Sterimol/L: 16.1197 
 
 Surface and Volume Properties
  Accessible surface: 589.787  Positive charged surface: 347.525  Negative charged surface: 242.262  Volume: 333.5
  Hydrophobic surface: 446.32  Hydrophilic surface: 143.467
 
 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.