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NCID-ZINC05501071

 MMsINC code: MMs02468708
Type: Neutral
Formula: C14H32N2O4S
SMILES:   S(OCCCCCCCCCCCCNCCN)(O)(=O)=O
InChI:   InChI=1/C14H32N2O4S/c15-11-13-16-12-9-7-5-3-1-2-4-6-8-10-14-20-21(17,18)19/h16H,1-15H2,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=-11.8907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.486 g/mol  logS: -3.22235  SlogP: 1.6894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120751  Sterimol/B1: 2.53291  Sterimol/B2: 2.8048  Sterimol/B3: 3.09562
  Sterimol/B4: 3.24895  Sterimol/L: 26.034 
 
 Surface and Volume Properties
  Accessible surface: 678.868  Positive charged surface: 520.184  Negative charged surface: 158.684  Volume: 327.375
  Hydrophobic surface: 452.652  Hydrophilic surface: 226.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.