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PUBCHEM-ZINC01546334

 MMsINC code: MMs02814162
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-27.0486 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: 0.170743  Sterimol/B1: 3.43125  Sterimol/B2: 3.89781  Sterimol/B3: 4.23721
  Sterimol/B4: 4.64607  Sterimol/L: 11.7072 
 
 Surface and Volume Properties
  Accessible surface: 430.794  Positive charged surface: 232.838  Negative charged surface: 197.957  Volume: 209.875
  Hydrophobic surface: 227.985  Hydrophilic surface: 202.809
 
 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


MMs02814163
PUBCHEM-ZINC01546334