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ENAMINE-ZINC05120230

 MMsINC code: MMs01589450
Type: Neutral
Formula: C19H24N2O3S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1cc(OC)ccc1)c1cc(ccc1C)C
InChI:   InChI=1/C19H24N2O3S/c1-15-7-8-16(2)19(13-15)25(22,23)21-11-9-20(10-12-21)17-5-4-6-18(14-17)24-3/h4-8,13-14H,9-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=164.855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.478 g/mol  logS: -3.8538  SlogP: 2.82294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157799  Sterimol/B1: 2.49652  Sterimol/B2: 3.84829  Sterimol/B3: 5.1935
  Sterimol/B4: 7.45417  Sterimol/L: 16.9402 
 
 Surface and Volume Properties
  Accessible surface: 587.732  Positive charged surface: 380.636  Negative charged surface: 207.096  Volume: 341.25
  Hydrophobic surface: 514.123  Hydrophilic surface: 73.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.