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PUBCHEM-ZINC05596556

 MMsINC code: MMs03318452
Type: Neutral
Formula: C10H12NO5P
SMILES:   P(OC)(OC)(=O)C=1c2c(nccc2)C(OC=1)O
InChI:   InChI=1/C10H12NO5P/c1-14-17(13,15-2)8-6-16-10(12)9-7(8)4-3-5-11-9/h3-6,10,12H,1-2H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.182 g/mol  logS: -0.43363  SlogP: 0.9123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104035  Sterimol/B1: 2.7457  Sterimol/B2: 3.37811  Sterimol/B3: 4.33926
  Sterimol/B4: 5.86331  Sterimol/L: 11.9848 
 
 Surface and Volume Properties
  Accessible surface: 443.109  Positive charged surface: 312.861  Negative charged surface: 130.248  Volume: 219.375
  Hydrophobic surface: 330.239  Hydrophilic surface: 112.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.