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PUBCHEM-ZINC02047293

 MMsINC code: MMs02865315
Type: Neutral
Formula: C10H15O4PS
SMILES:   S(CCCCP(O)(O)=O)c1ccccc1O
InChI:   InChI=1/C10H15O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.266 g/mol  logS: -1.77835  SlogP: 1.372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028336  Sterimol/B1: 3.11605  Sterimol/B2: 3.20065  Sterimol/B3: 3.26988
  Sterimol/B4: 5.31591  Sterimol/L: 16.3158 
 
 Surface and Volume Properties
  Accessible surface: 485.187  Positive charged surface: 277.431  Negative charged surface: 207.756  Volume: 228.75
  Hydrophobic surface: 273.111  Hydrophilic surface: 212.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.