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NCID-ZINC04887588

MMsINC code: MMs02412916

Type: Ionized
Formula: C6H10O9P-3
SMILES:   P(OCC(O)C(O)C(O)CC(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H13O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14)/p-3/t3-,4+,6+/m0/s1

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Potential Energy
Epot(MMFF94)=7.29808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.111 g/mol  logS: 1.15079  SlogP: -6.0158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843291  Sterimol/B1: 2.51173  Sterimol/B2: 3.28971  Sterimol/B3: 3.34896
  Sterimol/B4: 4.25956  Sterimol/L: 14.3737 
 
 Surface and Volume Properties
  Accessible surface: 407.831  Positive charged surface: 171.323  Negative charged surface: 236.508  Volume: 183.375
  Hydrophobic surface: 100.13  Hydrophilic surface: 307.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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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MMs02412915
NCID-ZINC04887588