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ENAMINE-ZINC06938697

 MMsINC code: MMs01714261
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-/m0/s1

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Potential Energy
Epot(MMFF94)=60.9555 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: 0.0242114  Sterimol/B1: 2.67794  Sterimol/B2: 2.71533  Sterimol/B3: 3.50994
  Sterimol/B4: 7.01007  Sterimol/L: 19.379 
 
 Surface and Volume Properties
  Accessible surface: 636.533  Positive charged surface: 428.537  Negative charged surface: 207.996  Volume: 359.875
  Hydrophobic surface: 489.115  Hydrophilic surface: 147.418
 
 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.