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ENAMINE-ZINC03549127

 MMsINC code: MMs01502502
Type: Neutral
Formula: C23H24N2O3S
SMILES:   S(=O)(=O)(N1CCCCCC1)c1cc(ccc1)C(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C23H24N2O3S/c26-23(24-22-14-8-10-18-9-3-4-13-21(18)22)19-11-7-12-20(17-19)29(27,28)25-15-5-1-2-6-16-25/h3-4,7-14,17H,1-2,5-6,15-16H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.522 g/mol  logS: -6.10223  SlogP: 4.6568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214898  Sterimol/B1: 3.25545  Sterimol/B2: 4.10925  Sterimol/B3: 4.62782
  Sterimol/B4: 6.16516  Sterimol/L: 20.0117 
 
 Surface and Volume Properties
  Accessible surface: 654.068  Positive charged surface: 373.181  Negative charged surface: 270.529  Volume: 384.125
  Hydrophobic surface: 577.425  Hydrophilic surface: 76.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.