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PUBCHEM-ZINC03869634

 MMsINC code: MMs03078727
Type: Ionized
Formula: C6H8O10P-3
SMILES:   P(OCC(O)C(O)C(O)C(=O)C(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=37.1287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.094 g/mol  logS: 0.70136  SlogP: -6.8368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627699  Sterimol/B1: 3.01776  Sterimol/B2: 3.30043  Sterimol/B3: 3.66525
  Sterimol/B4: 3.98782  Sterimol/L: 13.914 
 
 Surface and Volume Properties
  Accessible surface: 409.735  Positive charged surface: 153.568  Negative charged surface: 256.167  Volume: 184.5
  Hydrophobic surface: 73.1517  Hydrophilic surface: 336.5833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 5  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: 0
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MMs03078726
PUBCHEM-ZINC03869634