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PUBCHEM-ZINC02010969

 MMsINC code: MMs02849115
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCC(CCCC)CC)(O)(O)=O
InChI:   InChI=1/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-56.1513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -1.96721  SlogP: 1.2419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0674093  Sterimol/B1: 2.57134  Sterimol/B2: 3.76172  Sterimol/B3: 3.82837
  Sterimol/B4: 4.87062  Sterimol/L: 14.57 
 
 Surface and Volume Properties
  Accessible surface: 442.15  Positive charged surface: 301.256  Negative charged surface: 140.895  Volume: 199.375
  Hydrophobic surface: 256.975  Hydrophilic surface: 185.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02849116
PUBCHEM-ZINC02010969