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DSC-ZINC02243727

 MMsINC code: MMs01221686
Type: Neutral
Formula: C8H11O2P
SMILES:   P(CO)(CO)c1ccccc1
InChI:   InChI=1/C8H11O2P/c9-6-11(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.9445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.148 g/mol  logS: -0.08152  SlogP: 0.6934  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0807624  Sterimol/B1: 2.65904  Sterimol/B2: 3.30758  Sterimol/B3: 3.58523
  Sterimol/B4: 4.22462  Sterimol/L: 10.6354 
 
 Surface and Volume Properties
  Accessible surface: 366.476  Positive charged surface: 222.157  Negative charged surface: 144.32  Volume: 165.125
  Hydrophobic surface: 224.889  Hydrophilic surface: 141.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.