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PUBCHEM-ZINC03161503

 MMsINC code: MMs03003525
Type: Neutral
Formula: C10H21O4P
SMILES:   P(OCC)(=O)(CC=C)C(OCC)OCC
InChI:   InChI=1/C10H21O4P/c1-5-9-15(11,14-8-4)10(12-6-2)13-7-3/h5,10H,1,6-9H2,2-4H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=51.3031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.248 g/mol  logS: -0.55645  SlogP: 1.7734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214801  Sterimol/B1: 2.13936  Sterimol/B2: 2.506  Sterimol/B3: 4.78833
  Sterimol/B4: 8.57444  Sterimol/L: 11.9128 
 
 Surface and Volume Properties
  Accessible surface: 507.236  Positive charged surface: 357.138  Negative charged surface: 150.097  Volume: 238.875
  Hydrophobic surface: 361.539  Hydrophilic surface: 145.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.