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PUBCHEM-ZINC03165271

 MMsINC code: MMs03004093
Type: Neutral
Formula: C8H11OPS
SMILES:   S=P(C)(C)c1ccc(O)cc1
InChI:   InChI=1/C8H11OPS/c1-10(2,11)8-5-3-7(9)4-6-8/h3-6,9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.2852 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: 0.101361  Sterimol/B1: 2.21745  Sterimol/B2: 3.44182  Sterimol/B3: 4.33777
  Sterimol/B4: 5.28349  Sterimol/L: 10.9949 
 
 Surface and Volume Properties
  Accessible surface: 376.865  Positive charged surface: 198.592  Negative charged surface: 178.273  Volume: 177.625
  Hydrophobic surface: 228.302  Hydrophilic surface: 148.563
 
 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.