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NCID-ZINC01761165

 MMsINC code: MMs02367365
Type: Neutral
Formula: C15H23OPS
SMILES:   S(P1(=O)C(C)(C)C(C)C1(C)C)Cc1ccccc1
InChI:   InChI=1/C15H23OPS/c1-12-14(2,3)17(16,15(12,4)5)18-11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/t12-,17+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.388 g/mol  logS: -3.83518  SlogP: 4.601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199643  Sterimol/B1: 2.49879  Sterimol/B2: 3.05582  Sterimol/B3: 4.28818
  Sterimol/B4: 6.47268  Sterimol/L: 12.4966 
 
 Surface and Volume Properties
  Accessible surface: 464.776  Positive charged surface: 271.558  Negative charged surface: 182.468  Volume: 281.25
  Hydrophobic surface: 338.665  Hydrophilic surface: 126.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.