logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03099515

 MMsINC code: MMs02993439
Type: Neutral
Formula: C13H19O2P
SMILES:   P(C(C)C)(C(C)C)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C13H19O2P/c1-9(2)16(10(3)4)12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3,(H,14,15)

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=63.5503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.267 g/mol  logS: -2.35384  SlogP: 3.3088  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.137442  Sterimol/B1: 2.36304  Sterimol/B2: 3.0628  Sterimol/B3: 4.28886
  Sterimol/B4: 6.56751  Sterimol/L: 12.792 
 
 Surface and Volume Properties
  Accessible surface: 450.733  Positive charged surface: 277.796  Negative charged surface: 172.937  Volume: 243.5
  Hydrophobic surface: 272.309  Hydrophilic surface: 178.424
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02993440
PUBCHEM-ZINC03099515