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NCID-ZINC01705253

 MMsINC code: MMs02333862
Type: Neutral
Formula: C6H13O4P
SMILES:   P1(OC(CO1)C)(OC(C)C)=O
InChI:   InChI=1/C6H13O4P/c1-5(2)9-11(7)8-4-6(3)10-11/h5-6H,4H2,1-3H3/t6-,11+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.7479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: -0.99641  SlogP: 0.8846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950136  Sterimol/B1: 2.47737  Sterimol/B2: 3.14794  Sterimol/B3: 3.78463
  Sterimol/B4: 3.97323  Sterimol/L: 11.8446 
 
 Surface and Volume Properties
  Accessible surface: 374.703  Positive charged surface: 248.087  Negative charged surface: 126.617  Volume: 160.125
  Hydrophobic surface: 242.176  Hydrophilic surface: 132.527
 
 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.