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ENAMINE-ZINC06654152

 MMsINC code: MMs01694066
Type: Neutral
Formula: C18H23N3O5S
SMILES:   S1(=O)(=O)N=C(N2CCC(CC2)C(OC(C(=O)N(C)C)C)=O)c2c1cccc2
InChI:   InChI=1/C18H23N3O5S/c1-12(17(22)20(2)3)26-18(23)13-8-10-21(11-9-13)16-14-6-4-5-7-15(14)27(24,25)19-16/h4-7,12-13H,8-11H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=80.1688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.464 g/mol  logS: -3.03206  SlogP: 0.8674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535237  Sterimol/B1: 2.33399  Sterimol/B2: 4.35116  Sterimol/B3: 5.01263
  Sterimol/B4: 5.72438  Sterimol/L: 18.7923 
 
 Surface and Volume Properties
  Accessible surface: 640.806  Positive charged surface: 411.062  Negative charged surface: 229.744  Volume: 348.625
  Hydrophobic surface: 451.634  Hydrophilic surface: 189.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.