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NCID-ZINC01643456

 MMsINC code: MMs02284920
Type: Neutral
Formula: C7H18NO5PS
SMILES:   S(=O)(=O)(CCCC)CCC(P(O)(O)=O)N
InChI:   InChI=1/C7H18NO5PS/c1-2-3-5-15(12,13)6-4-7(8)14(9,10)11/h7H,2-6,8H2,1H3,(H2,9,10,11)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.45132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.263 g/mol  logS: 0.14975  SlogP: -1.0163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501428  Sterimol/B1: 3.20428  Sterimol/B2: 3.52786  Sterimol/B3: 3.68153
  Sterimol/B4: 4.21513  Sterimol/L: 14.7374 
 
 Surface and Volume Properties
  Accessible surface: 462.307  Positive charged surface: 290.202  Negative charged surface: 172.105  Volume: 218.5
  Hydrophobic surface: 208.323  Hydrophilic surface: 253.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.