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ASINEX-ZINC01324822

 MMsINC code: MMs00234762
Type: Neutral
Formula: C19H24N2O4S
SMILES:   S(=O)(=O)(NCc1occc1)c1ccc(cc1)C(=O)NC1CCCCC1C
InChI:   InChI=1/C19H24N2O4S/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h4,6,8-12,14,18,20H,2-3,5,7,13H2,1H3,(H,21,22)/t14-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.1404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.477 g/mol  logS: -4.56137  SlogP: 3.333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662175  Sterimol/B1: 2.39913  Sterimol/B2: 3.52972  Sterimol/B3: 5.77962
  Sterimol/B4: 6.54529  Sterimol/L: 19.0829 
 
 Surface and Volume Properties
  Accessible surface: 643.71  Positive charged surface: 371.502  Negative charged surface: 272.207  Volume: 351.375
  Hydrophobic surface: 493.248  Hydrophilic surface: 150.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.