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NCID-ZINC01705250

 MMsINC code: MMs02333860
Type: Neutral
Formula: C5H11O4P
SMILES:   P1(OC(C)C(O1)C)(OC)=O
InChI:   InChI=1/C5H11O4P/c1-4-5(2)9-10(6,7-3)8-4/h4-5H,1-3H3/t4-,5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.3134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: -0.6692  SlogP: 0.4945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10235  Sterimol/B1: 2.31401  Sterimol/B2: 3.00267  Sterimol/B3: 3.26096
  Sterimol/B4: 5.58736  Sterimol/L: 10.6996 
 
 Surface and Volume Properties
  Accessible surface: 340.616  Positive charged surface: 230.884  Negative charged surface: 109.732  Volume: 141.625
  Hydrophobic surface: 221.022  Hydrophilic surface: 119.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.