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PUBCHEM-ZINC04800444

 MMsINC code: MMs03173296
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-,20-/m1/s1

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Potential Energy
Epot(MMFF94)=35.6257 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: 0.273783  Sterimol/B1: 2.18704  Sterimol/B2: 4.19783  Sterimol/B3: 4.65512
  Sterimol/B4: 9.27941  Sterimol/L: 13.4782 
 
 Surface and Volume Properties
  Accessible surface: 567.901  Positive charged surface: 416.854  Negative charged surface: 151.047  Volume: 335.25
  Hydrophobic surface: 430.383  Hydrophilic surface: 137.518
 
 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.