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PUBCHEM-ZINC03165273

 MMsINC code: MMs03004094
Type: Neutral
Formula: C8H11OPS
SMILES:   S=P(C)(C)c1cc(O)ccc1
InChI:   InChI=1/C8H11OPS/c1-10(2,11)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.215 g/mol  logS: -1.81745  SlogP: 1.7566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108212  Sterimol/B1: 2.92209  Sterimol/B2: 3.6169  Sterimol/B3: 4.16106
  Sterimol/B4: 5.12632  Sterimol/L: 10.4612 
 
 Surface and Volume Properties
  Accessible surface: 378.267  Positive charged surface: 199.118  Negative charged surface: 179.149  Volume: 177.375
  Hydrophobic surface: 229.411  Hydrophilic surface: 148.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.