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


MDPI-ZINC03845960

 MMsINC code: MMs02179369
Type: Neutral
Formula: C25H36O
SMILES:   OC(Cc1ccccc1)CC(CCCC(Cc1ccccc1)C(C)C)C
InChI:   InChI=1/C25H36O/c1-20(2)24(18-22-12-6-4-7-13-22)16-10-11-21(3)17-25(26)19-23-14-8-5-9-15-23/h4-9,12-15,20-21,24-26H,10-11,16-19H2,1-3H3/t21-,24-,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)=110.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.562 g/mol  logS: -7.88549  SlogP: 6.30134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607687  Sterimol/B1: 2.57035  Sterimol/B2: 5.35217  Sterimol/B3: 5.44736
  Sterimol/B4: 5.97739  Sterimol/L: 19.4993 
 
 Surface and Volume Properties
  Accessible surface: 690.519  Positive charged surface: 450.282  Negative charged surface: 240.236  Volume: 400.625
  Hydrophobic surface: 607.957  Hydrophilic surface: 82.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.