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ENAMINE-ZINC03408725

 MMsINC code: MMs01424359
Type: Neutral
Formula: C15H20N2O4S2
SMILES:   s1cccc1\C=C\C(=O)N(CC(=O)NC1CCS(=O)(=O)C1)CC
InChI:   InChI=1/C15H20N2O4S2/c1-2-17(15(19)6-5-13-4-3-8-22-13)10-14(18)16-12-7-9-23(20,21)11-12/h3-6,8,12H,2,7,9-11H2,1H3,(H,16,18)/b6-5+/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=50.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.467 g/mol  logS: -2.69907  SlogP: 0.9131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648766  Sterimol/B1: 2.20513  Sterimol/B2: 3.51692  Sterimol/B3: 4.52616
  Sterimol/B4: 7.47734  Sterimol/L: 18.2934 
 
 Surface and Volume Properties
  Accessible surface: 600.951  Positive charged surface: 321.52  Negative charged surface: 279.432  Volume: 315.125
  Hydrophobic surface: 435.967  Hydrophilic surface: 164.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.