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PUBCHEM-ZINC06760883

 MMsINC code: MMs03854139
Type: Neutral
Formula: C6H14NO8P
SMILES:   P(OC1C(O)C(O)C(N)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/t1-,2-,3-,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.81389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.151 g/mol  logS: 1.79438  SlogP: -4.8214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133801  Sterimol/B1: 3.1003  Sterimol/B2: 3.46518  Sterimol/B3: 4.10634
  Sterimol/B4: 4.46006  Sterimol/L: 12.2259 
 
 Surface and Volume Properties
  Accessible surface: 410.598  Positive charged surface: 276.247  Negative charged surface: 134.351  Volume: 192.125
  Hydrophobic surface: 69.0089  Hydrophilic surface: 341.5891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  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


MMs03854140
PUBCHEM-ZINC06760883