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PUBCHEM-ZINC01325763

 MMsINC code: MMs02796995
Type: Neutral
Formula: C18H20N2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)NC2CCc3c2cccc3)cc1
InChI:   InChI=1/C18H20N2O4S2/c21-25(22,19-14-6-7-14)15-8-10-16(11-9-15)26(23,24)20-18-12-5-13-3-1-2-4-17(13)18/h1-4,8-11,14,18-20H,5-7,12H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=24.5106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.5 g/mol  logS: -3.76676  SlogP: 2.18857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954701  Sterimol/B1: 2.60858  Sterimol/B2: 3.38204  Sterimol/B3: 5.37697
  Sterimol/B4: 7.37742  Sterimol/L: 16.9501 
 
 Surface and Volume Properties
  Accessible surface: 618.821  Positive charged surface: 334.481  Negative charged surface: 284.34  Volume: 343.375
  Hydrophobic surface: 419.521  Hydrophilic surface: 199.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.