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PUBCHEM-ZINC02017594

 MMsINC code: MMs02853343
Type: Neutral
Formula: C9H19O4P
SMILES:   P1(OC(CC1(O)C)(C)C)(OCCC)=O
InChI:   InChI=1/C9H19O4P/c1-5-6-12-14(11)9(4,10)7-8(2,3)13-14/h10H,5-7H2,1-4H3/t9-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=53.0651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.221 g/mol  logS: -1.32602  SlogP: 1.4433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147479  Sterimol/B1: 3.50351  Sterimol/B2: 3.60957  Sterimol/B3: 4.02306
  Sterimol/B4: 5.44795  Sterimol/L: 12.6832 
 
 Surface and Volume Properties
  Accessible surface: 437.741  Positive charged surface: 310.854  Negative charged surface: 126.887  Volume: 211.25
  Hydrophobic surface: 296.664  Hydrophilic surface: 141.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.