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PUBCHEM-ZINC03869635

 MMsINC code: MMs03078728
Type: Neutral
Formula: C6H11O10P
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)/t2-,3+,4+/m1/s1

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Potential Energy
Epot(MMFF94)=-14.9337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.118 g/mol  logS: 1.10485  SlogP: -4.2381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792323  Sterimol/B1: 3.1184  Sterimol/B2: 3.53181  Sterimol/B3: 3.85005
  Sterimol/B4: 4.24325  Sterimol/L: 14.4681 
 
 Surface and Volume Properties
  Accessible surface: 438.269  Positive charged surface: 233.305  Negative charged surface: 204.964  Volume: 194.25
  Hydrophobic surface: 59.7987  Hydrophilic surface: 378.4703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03078729
PUBCHEM-ZINC03869635