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NCID-ZINC01673632

 MMsINC code: MMs02309477
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCC(C)C)(OCC(C)C)(O)=O
InChI:   InChI=1/C8H19O4P/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-32.6025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -0.98226  SlogP: 1.3618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745689  Sterimol/B1: 2.91256  Sterimol/B2: 3.63725  Sterimol/B3: 3.99972
  Sterimol/B4: 4.30601  Sterimol/L: 14.4754 
 
 Surface and Volume Properties
  Accessible surface: 459.454  Positive charged surface: 319.865  Negative charged surface: 139.589  Volume: 205.375
  Hydrophobic surface: 291.491  Hydrophilic surface: 167.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02309478
NCID-ZINC01673632