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PUBCHEM-ZINC03161278

 MMsINC code: MMs03003446
Type: Neutral
Formula: C13H21OP
SMILES:   P(=O)(C(C)C)(C(C)C)c1cc(ccc1)C
InChI:   InChI=1/C13H21OP/c1-10(2)15(14,11(3)4)13-8-6-7-12(5)9-13/h6-11H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.284 g/mol  logS: -2.70888  SlogP: 2.73002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2348  Sterimol/B1: 2.86367  Sterimol/B2: 4.85484  Sterimol/B3: 5.04224
  Sterimol/B4: 5.15609  Sterimol/L: 12.3779 
 
 Surface and Volume Properties
  Accessible surface: 454.413  Positive charged surface: 286.575  Negative charged surface: 167.837  Volume: 244.75
  Hydrophobic surface: 359.3  Hydrophilic surface: 95.113
 
 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.