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ENAMINE-ZINC06938693

 MMsINC code: MMs01714260
Type: Neutral
Formula: C20H24N2O2S2
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)c1sc2CCCCCc2c1)C
InChI:   InChI=1/C20H24N2O2S2/c1-11-7-8-13-15(9-11)26-20(17(13)18(21)23)22-19(24)16-10-12-5-3-2-4-6-14(12)25-16/h10-11H,2-9H2,1H3,(H2,21,23)(H,22,24)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=61.0578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.556 g/mol  logS: -6.58673  SlogP: 4.55438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235143  Sterimol/B1: 2.68963  Sterimol/B2: 3.01221  Sterimol/B3: 3.36905
  Sterimol/B4: 7.0529  Sterimol/L: 19.4365 
 
 Surface and Volume Properties
  Accessible surface: 643.752  Positive charged surface: 431.381  Negative charged surface: 212.371  Volume: 359.75
  Hydrophobic surface: 491.526  Hydrophilic surface: 152.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.