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NCID-ZINC01870256

 MMsINC code: MMs02376044
Type: Neutral
Formula: C8H18NO3P
SMILES:   P(OCC)(OCC)(=O)N1C(C)C1C
InChI:   InChI=1/C8H18NO3P/c1-5-11-13(10,12-6-2)9-7(3)8(9)4/h7-8H,5-6H2,1-4H3/t7-,8+,9-

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Potential Energy
Epot(MMFF94)=131.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.21 g/mol  logS: -0.84193  SlogP: 1.1899  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.207943  Sterimol/B1: 3.37623  Sterimol/B2: 3.84533  Sterimol/B3: 4.42774
  Sterimol/B4: 5.58568  Sterimol/L: 11.1513 
 
 Surface and Volume Properties
  Accessible surface: 419.803  Positive charged surface: 300.373  Negative charged surface: 119.43  Volume: 198.75
  Hydrophobic surface: 343.129  Hydrophilic surface: 76.674
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.