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PUBCHEM-ZINC04800442

 MMsINC code: MMs03173294
Type: Neutral
Formula: C16H35O3P
SMILES:   P(OC(CC(C)C)C)(OC(CC(C)C)C)(=O)C(CC)C
InChI:   InChI=1/C16H35O3P/c1-9-16(8)20(17,18-14(6)10-12(2)3)19-15(7)11-13(4)5/h12-16H,9-11H2,1-8H3/t14-,15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=35.2786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.427 g/mol  logS: -4.24083  SlogP: 4.8102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288  Sterimol/B1: 2.45077  Sterimol/B2: 3.67487  Sterimol/B3: 6.44079
  Sterimol/B4: 8.27346  Sterimol/L: 13.122 
 
 Surface and Volume Properties
  Accessible surface: 567.965  Positive charged surface: 402.335  Negative charged surface: 165.63  Volume: 340.75
  Hydrophobic surface: 417.393  Hydrophilic surface: 150.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.