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


PUBCHEM-ZINC05158792

 MMsINC code: MMs03214875
Type: Neutral
Formula: C24H32N2O
SMILES:   O=C(N)C(CCN(CC=C(C)C)CC=C(C)C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H32N2O/c1-18(2)12-15-26(16-13-19(3)4)17-14-23(24(25)27)22-11-7-9-20-8-5-6-10-21(20)22/h5-13,23H,14-17H2,1-4H3,(H2,25,27)/t23-/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)=105.592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.533 g/mol  logS: -5.86463  SlogP: 5.0332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148235  Sterimol/B1: 3.2252  Sterimol/B2: 3.6322  Sterimol/B3: 6.42218
  Sterimol/B4: 9.50554  Sterimol/L: 15.785 
 
 Surface and Volume Properties
  Accessible surface: 690.603  Positive charged surface: 447.646  Negative charged surface: 235.488  Volume: 397.625
  Hydrophobic surface: 591.413  Hydrophilic surface: 99.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03214876
PUBCHEM-ZINC05158792