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NCID-ZINC01766550

 MMsINC code: MMs02369911
Type: Neutral
Formula: C12H23O4P
SMILES:   P(OCC)(OCC)(=O)C(C(=O)C)CC=C(C)C
InChI:   InChI=1/C12H23O4P/c1-6-15-17(14,16-7-2)12(11(5)13)9-8-10(3)4/h8,12H,6-7,9H2,1-5H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=23.1784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.286 g/mol  logS: -1.95691  SlogP: 2.4962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.377011  Sterimol/B1: 2.46412  Sterimol/B2: 3.87318  Sterimol/B3: 5.36346
  Sterimol/B4: 8.1542  Sterimol/L: 12.7025 
 
 Surface and Volume Properties
  Accessible surface: 494.257  Positive charged surface: 336.899  Negative charged surface: 157.357  Volume: 261.75
  Hydrophobic surface: 383.334  Hydrophilic surface: 110.923
 
 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.