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


PUBCHEM-ZINC03686703

 MMsINC code: MMs03041632
Type: Neutral
Formula: C25H28N2
SMILES:   [nH]1c2c(c(CCCCN)c1-c1c3c(cccc3)c(cc1)C)c(ccc2C)C
InChI:   InChI=1/C25H28N2/c1-16-13-14-21(20-9-5-4-8-19(16)20)25-22(10-6-7-15-26)23-17(2)11-12-18(3)24(23)27-25/h4-5,8-9,11-14,27H,6-7,10,15,26H2,1-3H3

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)=88.3888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.513 g/mol  logS: -7.18608  SlogP: 6.19473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222269  Sterimol/B1: 3.2998  Sterimol/B2: 4.62219  Sterimol/B3: 6.62361
  Sterimol/B4: 9.15896  Sterimol/L: 14.6661 
 
 Surface and Volume Properties
  Accessible surface: 646.852  Positive charged surface: 420.18  Negative charged surface: 216.527  Volume: 385.875
  Hydrophobic surface: 565.732  Hydrophilic surface: 81.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03041633
PUBCHEM-ZINC03686703