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


NCID-ZINC05801221

 MMsINC code: MMs02497839
Type: Tautomer
Formula: C24H28O3
SMILES:   Oc1c(cc(cc1C(C)(C)C)CC1C(=O)c2c(cccc2)C1=O)C(C)(C)C
InChI:   InChI=1/C24H28O3/c1-23(2,3)18-12-14(13-19(22(18)27)24(4,5)6)11-17-20(25)15-9-7-8-10-16(15)21(17)26/h7-10,12-13,17,27H,11H2,1-6H3

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)=122.221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.485 g/mol  logS: -6.7797  SlogP: 5.22507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0873632  Sterimol/B1: 2.56501  Sterimol/B2: 3.03683  Sterimol/B3: 4.49187
  Sterimol/B4: 8.93666  Sterimol/L: 16.2758 
 
 Surface and Volume Properties
  Accessible surface: 623.307  Positive charged surface: 384.612  Negative charged surface: 238.694  Volume: 372.625
  Hydrophobic surface: 452.137  Hydrophilic surface: 171.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs02497838
NCID-ZINC05801221