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BACHEM-ZINC02569813

 MMsINC code: MMs00484417
Type: Neutral
Formula: C14H28NO6P
SMILES:   P(OC)(OC)(=O)CC(=O)C(NC(OC(C)(C)C)=O)C(C)(C)C
InChI:   InChI=1/C14H28NO6P/c1-13(2,3)11(15-12(17)21-14(4,5)6)10(16)9-22(18,19-7)20-8/h11H,9H2,1-8H3,(H,15,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=54.5447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.353 g/mol  logS: -2.10627  SlogP: 1.9106  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0774439  Sterimol/B1: 2.54062  Sterimol/B2: 2.98709  Sterimol/B3: 4.19638
  Sterimol/B4: 8.34786  Sterimol/L: 16.5962 
 
 Surface and Volume Properties
  Accessible surface: 587.529  Positive charged surface: 429.477  Negative charged surface: 158.052  Volume: 319.375
  Hydrophobic surface: 410.129  Hydrophilic surface: 177.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.