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PUBCHEM-ZINC05828657

 MMsINC code: MMs03404080
Type: Ionized
Formula: C10H18N2O4S2-2
SMILES:   [S-]CC[NH+](CC[NH+](CC(=O)[O-])CC[S-])CC(=O)[O-]
InChI:   InChI=1/C10H20N2O4S2/c13-9(14)7-11(3-5-17)1-2-12(4-6-18)8-10(15)16/h17-18H,1-8H2,(H,13,14)(H,15,16)/p-2

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Potential Energy
Epot(MMFF94)=57.9303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.396 g/mol  logS: -2.09464  SlogP: -6.6502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115526  Sterimol/B1: 2.84813  Sterimol/B2: 3.92663  Sterimol/B3: 5.12698
  Sterimol/B4: 5.8004  Sterimol/L: 13.3487 
 
 Surface and Volume Properties
  Accessible surface: 523.112  Positive charged surface: 237.502  Negative charged surface: 285.61  Volume: 263.75
  Hydrophobic surface: 187.98  Hydrophilic surface: 335.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  Basic groups: 2
  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: 0
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Parent related molecule:


MMs03404079
PUBCHEM-ZINC05828657