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PUBCHEM-ZINC06753356

MMsINC code: MMs03850406

Type: Neutral
Formula: C6H14NO8P
SMILES:   P(OC1C(O)C(N)C(OC1CO)O)(O)(O)=O
InChI:   InChI=1/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5+,6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-12.1332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.151 g/mol  logS: 1.56847  SlogP: -4.2082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.296481  Sterimol/B1: 3.27111  Sterimol/B2: 3.37478  Sterimol/B3: 3.73279
  Sterimol/B4: 6.87436  Sterimol/L: 10.6048 
 
 Surface and Volume Properties
  Accessible surface: 410.346  Positive charged surface: 289.368  Negative charged surface: 120.978  Volume: 194
  Hydrophobic surface: 101.271  Hydrophilic surface: 309.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs03850407
PUBCHEM-ZINC06753356