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ASINEX-ZINC06681649

 MMsINC code: MMs00445119
Type: Neutral
Formula: C10H16N2O3S2
SMILES:   s1cc(S(=O)(=O)NC(C)C)cc1C(=O)NCC
InChI:   InChI=1/C10H16N2O3S2/c1-4-11-10(13)9-5-8(6-16-9)17(14,15)12-7(2)3/h5-7,12H,4H2,1-3H3,(H,11,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.72752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.381 g/mol  logS: -2.15729  SlogP: 1.1845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700264  Sterimol/B1: 3.13652  Sterimol/B2: 3.48401  Sterimol/B3: 3.80192
  Sterimol/B4: 5.64156  Sterimol/L: 15.6971 
 
 Surface and Volume Properties
  Accessible surface: 487.376  Positive charged surface: 272.524  Negative charged surface: 214.852  Volume: 241.25
  Hydrophobic surface: 295.584  Hydrophilic surface: 191.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.