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ASINEX-ZINC01347100

 MMsINC code: MMs00242145
Type: Neutral
Formula: C24H25FN2O3S
SMILES:   S(=O)(=O)(N1CC(CCC1)C(=O)NCCc1ccc(F)cc1)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H25FN2O3S/c25-21-12-10-18(11-13-21)14-15-26-24(28)20-7-4-16-27(17-20)31(29,30)23-9-3-6-19-5-1-2-8-22(19)23/h1-3,5-6,8-13,20H,4,7,14-17H2,(H,26,28)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=69.9829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.539 g/mol  logS: -5.7821  SlogP: 3.73847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677781  Sterimol/B1: 2.41432  Sterimol/B2: 3.55345  Sterimol/B3: 5.04455
  Sterimol/B4: 8.35313  Sterimol/L: 20.2055 
 
 Surface and Volume Properties
  Accessible surface: 698.294  Positive charged surface: 390.545  Negative charged surface: 297.526  Volume: 405.25
  Hydrophobic surface: 609.957  Hydrophilic surface: 88.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.