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NCID-ZINC03869603

 MMsINC code: MMs02381212
Type: Ionized
Formula: C6H10O10P-3
SMILES:   P(OCC(O)C(O)C(O)C(O)C(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3+,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=33.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.11 g/mol  logS: 1.23525  SlogP: -7.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813595  Sterimol/B1: 3.15057  Sterimol/B2: 3.569  Sterimol/B3: 3.72071
  Sterimol/B4: 3.9212  Sterimol/L: 14.4344 
 
 Surface and Volume Properties
  Accessible surface: 412.87  Positive charged surface: 167.543  Negative charged surface: 245.327  Volume: 188.125
  Hydrophobic surface: 79.9465  Hydrophilic surface: 332.9235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 5  Basic groups: 0
  Chiral centers: 4
 
 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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Parent related molecule:


MMs02381211
NCID-ZINC03869603