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NCID-ZINC02508229

 MMsINC code: MMs02380217
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OCC(O)C(O)C(O)C(O)C=O)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.7424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.60203  SlogP: -4.332  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0741379  Sterimol/B1: 2.81667  Sterimol/B2: 3.32505  Sterimol/B3: 3.36976
  Sterimol/B4: 3.62915  Sterimol/L: 14.7072 
 
 Surface and Volume Properties
  Accessible surface: 435.218  Positive charged surface: 251.69  Negative charged surface: 183.528  Volume: 196
  Hydrophobic surface: 83.3956  Hydrophilic surface: 351.8224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02380218
NCID-ZINC02508229