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NCID-ZINC01737637

 MMsINC code: MMs02358522
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCC)(OCC)(=O)C(O)C(C)C
InChI:   InChI=1/C8H19O4P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-9H,5-6H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=42.4035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -0.67474  SlogP: 1.1567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136882  Sterimol/B1: 2.03445  Sterimol/B2: 3.08563  Sterimol/B3: 3.83608
  Sterimol/B4: 8.09735  Sterimol/L: 12.1226 
 
 Surface and Volume Properties
  Accessible surface: 439.473  Positive charged surface: 311.484  Negative charged surface: 127.99  Volume: 205.5
  Hydrophobic surface: 293.606  Hydrophilic surface: 145.867
 
 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.