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ENAMINE-ZINC06790202

 MMsINC code: MMs01699346
Type: Neutral
Formula: C24H22N2O3S
SMILES:   S(=O)(=O)(N1CCc2c1cccc2)c1cc(ccc1)C(=O)Nc1cc2CCCc2cc1
InChI:   InChI=1/C24H22N2O3S/c27-24(25-21-12-11-17-6-3-7-19(17)15-21)20-8-4-9-22(16-20)30(28,29)26-14-13-18-5-1-2-10-23(18)26/h1-2,4-5,8-12,15-16H,3,6-7,13-14H2,(H,25,27)

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Potential Energy
Epot(MMFF94)=105.535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.517 g/mol  logS: -6.63718  SlogP: 4.17891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683165  Sterimol/B1: 2.47453  Sterimol/B2: 3.29062  Sterimol/B3: 5.31278
  Sterimol/B4: 9.8734  Sterimol/L: 18.2584 
 
 Surface and Volume Properties
  Accessible surface: 684.868  Positive charged surface: 401.995  Negative charged surface: 282.874  Volume: 388.375
  Hydrophobic surface: 593.559  Hydrophilic surface: 91.309
 
 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.