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PUBCHEM-ZINC06096600

 MMsINC code: MMs03542705
Type: Neutral
Formula: C10H13O5P
SMILES:   P(O)(O)(=O)CC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C10H13O5P/c11-10(12)9(7-16(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)(H2,13,14,15)/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-26.3585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.183 g/mol  logS: -0.50271  SlogP: 0.03737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121675  Sterimol/B1: 3.25414  Sterimol/B2: 3.29201  Sterimol/B3: 3.51623
  Sterimol/B4: 5.63441  Sterimol/L: 13.0344 
 
 Surface and Volume Properties
  Accessible surface: 426.977  Positive charged surface: 230.419  Negative charged surface: 196.559  Volume: 210.125
  Hydrophobic surface: 223.965  Hydrophilic surface: 203.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03542706
PUBCHEM-ZINC06096600