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


PUBCHEM-ZINC03689152

 MMsINC code: MMs03042910
Type: Neutral
Formula: C23H30N2
SMILES:   [nH]1c2c(cccc2C(CC)C)c(CCCCN)c1-c1cc(ccc1)C
InChI:   InChI=1/C23H30N2/c1-4-17(3)19-12-8-13-21-20(11-5-6-14-24)22(25-23(19)21)18-10-7-9-16(2)15-18/h7-10,12-13,15,17,25H,4-6,11,14,24H2,1-3H3/t17-/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)=60.0983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.507 g/mol  logS: -6.37994  SlogP: 5.93819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981441  Sterimol/B1: 3.62922  Sterimol/B2: 4.40297  Sterimol/B3: 6.48834
  Sterimol/B4: 6.69456  Sterimol/L: 16.7402 
 
 Surface and Volume Properties
  Accessible surface: 661.094  Positive charged surface: 455.835  Negative charged surface: 200.266  Volume: 369.25
  Hydrophobic surface: 537.086  Hydrophilic surface: 124.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   

Ions/Tautomers related molecules


MMs03042911
PUBCHEM-ZINC03689152