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PUBCHEM-ZINC03869637

 MMsINC code: MMs03078732
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)=-15.7532 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: 0.0883562  Sterimol/B1: 3.03128  Sterimol/B2: 3.36142  Sterimol/B3: 3.83285
  Sterimol/B4: 4.04732  Sterimol/L: 14.539 
 
 Surface and Volume Properties
  Accessible surface: 441.687  Positive charged surface: 230.361  Negative charged surface: 211.326  Volume: 194.75
  Hydrophobic surface: 52.0761  Hydrophilic surface: 389.6109
 
 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


MMs03078733
PUBCHEM-ZINC03869637