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PUBCHEM-ZINC00259604

 MMsINC code: MMs02647122
Type: Neutral
Formula: C11H20N2O4S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(O)=O)N1CCCCC1
InChI:   InChI=1/C11H20N2O4S/c14-11(15)10-4-8-13(9-5-10)18(16,17)12-6-2-1-3-7-12/h10H,1-9H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=-26.6357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.357 g/mol  logS: -0.3063  SlogP: 0.5137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212268  Sterimol/B1: 2.88937  Sterimol/B2: 3.26264  Sterimol/B3: 5.10201
  Sterimol/B4: 5.53477  Sterimol/L: 12.9049 
 
 Surface and Volume Properties
  Accessible surface: 457.433  Positive charged surface: 328.85  Negative charged surface: 128.583  Volume: 244.875
  Hydrophobic surface: 314.125  Hydrophilic surface: 143.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02647123
PUBCHEM-ZINC00259604