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


NCID-ZINC04972672

 MMsINC code: MMs02421421
Type: Neutral
Formula: C19H24O2
SMILES:   Oc1cc2CC(C3C4CCC(=O)C4(CCC3c2cc1)C)C
InChI:   InChI=1/C19H24O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h3-4,10-11,15-16,18,20H,5-9H2,1-2H3/t11-,15+,16+,18-,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)=91.3231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.399 g/mol  logS: -4.6278  SlogP: 4.06337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202759  Sterimol/B1: 2.49701  Sterimol/B2: 2.52656  Sterimol/B3: 5.57816
  Sterimol/B4: 5.888  Sterimol/L: 14.2554 
 
 Surface and Volume Properties
  Accessible surface: 482.371  Positive charged surface: 321.079  Negative charged surface: 161.292  Volume: 289.25
  Hydrophobic surface: 365.682  Hydrophilic surface: 116.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.