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PUBCHEM-ZINC05133641

 MMsINC code: MMs03208552
Type: Neutral
Formula: C11H24N2O3S2
SMILES:   S(S(O)(=O)=O)CCNCCCNC1CCCCC1
InChI:   InChI=1/C11H24N2O3S2/c14-18(15,16)17-10-9-12-7-4-8-13-11-5-2-1-3-6-11/h11-13H,1-10H2,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=-11.5673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.456 g/mol  logS: -1.92168  SlogP: 0.8587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357947  Sterimol/B1: 2.82245  Sterimol/B2: 3.12843  Sterimol/B3: 3.3938
  Sterimol/B4: 4.59436  Sterimol/L: 18.1274 
 
 Surface and Volume Properties
  Accessible surface: 555.295  Positive charged surface: 383.06  Negative charged surface: 172.235  Volume: 275.75
  Hydrophobic surface: 365.671  Hydrophilic surface: 189.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03208553
PUBCHEM-ZINC05133641