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NCID-ZINC01765096

 MMsINC code: MMs02369331
Type: Neutral
Formula: C8H11O3PS
SMILES:   S(P(OC)(OC)=O)c1ccccc1
InChI:   InChI=1/C8H11O3PS/c1-10-12(9,11-2)13-8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.213 g/mol  logS: -2.53904  SlogP: 2.1094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881034  Sterimol/B1: 2.20167  Sterimol/B2: 2.3102  Sterimol/B3: 4.19592
  Sterimol/B4: 7.48172  Sterimol/L: 11.0232 
 
 Surface and Volume Properties
  Accessible surface: 401.281  Positive charged surface: 241.501  Negative charged surface: 159.78  Volume: 192.75
  Hydrophobic surface: 315.959  Hydrophilic surface: 85.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.