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


NCID-ZINC04994376

 MMsINC code: MMs02425612
Type: Neutral
Formula: C19H26O3
SMILES:   OC1C2(C(CC1O)C1C(CC2)c2c(cc(O)cc2)CC1)CC
InChI:   InChI=1/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)10-17(21)18(19)22/h4,6,9,14-18,20-22H,2-3,5,7-8,10H2,1H3/t14-,15-,16-,17-,18-,19-/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)=150.301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.414 g/mol  logS: -4.3293  SlogP: 2.97007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126947  Sterimol/B1: 2.51717  Sterimol/B2: 2.52963  Sterimol/B3: 5.38318
  Sterimol/B4: 5.85964  Sterimol/L: 14.6592 
 
 Surface and Volume Properties
  Accessible surface: 506.562  Positive charged surface: 371.328  Negative charged surface: 135.233  Volume: 298.125
  Hydrophobic surface: 362.578  Hydrophilic surface: 143.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.