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NCID-ZINC01707652

 MMsINC code: MMs02335809
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)C(C)C
InChI:   InChI=1/C8H20NO3P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-8H,5-6,9H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=45.6321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.56864  SlogP: 1.1231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917497  Sterimol/B1: 2.06126  Sterimol/B2: 2.72797  Sterimol/B3: 3.94343
  Sterimol/B4: 8.0463  Sterimol/L: 12.2652 
 
 Surface and Volume Properties
  Accessible surface: 438.154  Positive charged surface: 316.593  Negative charged surface: 121.56  Volume: 210.75
  Hydrophobic surface: 281.273  Hydrophilic surface: 156.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.