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ASINEX-ZINC01380273

 MMsINC code: MMs00252586
Type: Neutral
Formula: C20H23FN2O3S
SMILES:   S(=O)(=O)(N1CC(CCC1)C(=O)NCc1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C20H23FN2O3S/c1-15-8-10-18(11-9-15)27(25,26)23-12-4-6-17(14-23)20(24)22-13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-14H2,1H3,(H,22,24)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.479 g/mol  logS: -4.31667  SlogP: 3.11762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461606  Sterimol/B1: 2.59035  Sterimol/B2: 2.8934  Sterimol/B3: 5.5205
  Sterimol/B4: 6.50429  Sterimol/L: 20.4407 
 
 Surface and Volume Properties
  Accessible surface: 651.04  Positive charged surface: 375.957  Negative charged surface: 275.083  Volume: 357.5
  Hydrophobic surface: 555.169  Hydrophilic surface: 95.871
 
 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.