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


AURORAFEINCHEMIE-ZINC04024334

 MMsINC code: MMs00461053
Type: Neutral
Formula: C19H24O2
SMILES:   Oc1c2c(CCC3C4CCC(=O)C4(CCC23)C)c(cc1)C
InChI:   InChI=1/C19H24O2/c1-11-3-7-16(20)18-12(11)4-5-13-14(18)9-10-19(2)15(13)6-8-17(19)21/h3,7,13-15,20H,4-6,8-10H2,1-2H3/t13-,14+,15+,19+/m1/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)=120.796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.399 g/mol  logS: -4.27305  SlogP: 4.12579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971138  Sterimol/B1: 2.48447  Sterimol/B2: 3.23349  Sterimol/B3: 3.69768
  Sterimol/B4: 6.5438  Sterimol/L: 13.59 
 
 Surface and Volume Properties
  Accessible surface: 485.139  Positive charged surface: 322.958  Negative charged surface: 162.18  Volume: 288.5
  Hydrophobic surface: 399.122  Hydrophilic surface: 86.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.