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


NCID-ZINC05699674

 MMsINC code: MMs02486326
Type: Neutral
Formula: C20H25NO
SMILES:   OC1C(CC(N(C)C1C)C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H25NO/c1-15-14-20(17-10-6-4-7-11-17,18-12-8-5-9-13-18)19(22)16(2)21(15)3/h4-13,15-16,19,22H,14H2,1-3H3/t15-,16+,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)=130.944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.426 g/mol  logS: -3.63731  SlogP: 3.4461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.419173  Sterimol/B1: 2.21242  Sterimol/B2: 4.27758  Sterimol/B3: 6.50824
  Sterimol/B4: 7.19052  Sterimol/L: 12.8486 
 
 Surface and Volume Properties
  Accessible surface: 517.698  Positive charged surface: 337.923  Negative charged surface: 179.775  Volume: 314.375
  Hydrophobic surface: 454.886  Hydrophilic surface: 62.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02486327
NCID-ZINC05699674