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


PUBCHEM-ZINC03136888

 MMsINC code: MMs03000126
Type: Neutral
Formula: C25H24O4
SMILES:   O(C(C(CC)(C)c1ccccc1)c1ccccc1)C(=O)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C25H24O4/c1-3-25(2,21-15-8-5-9-16-21)22(18-11-6-4-7-12-18)29-24(28)20-14-10-13-19(17-20)23(26)27/h4-17,22H,3H2,1-2H3,(H,26,27)/t22-,25+/m0/s1

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)=124.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.463 g/mol  logS: -6.25204  SlogP: 5.7463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176444  Sterimol/B1: 2.45593  Sterimol/B2: 5.99765  Sterimol/B3: 6.54146
  Sterimol/B4: 7.58584  Sterimol/L: 15.5574 
 
 Surface and Volume Properties
  Accessible surface: 636.556  Positive charged surface: 352.775  Negative charged surface: 283.781  Volume: 384.875
  Hydrophobic surface: 488.722  Hydrophilic surface: 147.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03000127
PUBCHEM-ZINC03136888