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


PUBCHEM-ZINC06025049

 MMsINC code: MMs03500064
Type: Neutral
Formula: C24H23N3O
SMILES:   O=C(NC(C)c1ccccc1)CC(c1ccccc1)c1n2c(nc1)C=CC=C2
InChI:   InChI=1/C24H23N3O/c1-18(19-10-4-2-5-11-19)26-24(28)16-21(20-12-6-3-7-13-20)22-17-25-23-14-8-9-15-27(22)23/h2-15,17-18,21H,16H2,1H3,(H,26,28)/t18-,21+/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)=78.9237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.468 g/mol  logS: -4.59573  SlogP: 4.8755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109183  Sterimol/B1: 4.05481  Sterimol/B2: 4.26414  Sterimol/B3: 4.80788
  Sterimol/B4: 6.35166  Sterimol/L: 17.8957 
 
 Surface and Volume Properties
  Accessible surface: 656.124  Positive charged surface: 382.173  Negative charged surface: 273.952  Volume: 376.375
  Hydrophobic surface: 591.261  Hydrophilic surface: 64.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.