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


IBS-ZINC05562798

MMsINC code: MMs01956312

Type: Neutral
Formula: C24H24N2O3
SMILES:   O=C1N(C(=O)C2C1C(N1C2CCC1)C(=O)c1ccccc1)c1cc(cc(c1)C)C
InChI:   InChI=1/C24H24N2O3/c1-14-11-15(2)13-17(12-14)26-23(28)19-18-9-6-10-25(18)21(20(19)24(26)29)22(27)16-7-4-3-5-8-16/h3-5,7-8,11-13,18-21H,6,9-10H2,1-2H3/t18-,19+,20-,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)=142.272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.17629  SlogP: 3.13854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107088  Sterimol/B1: 3.26007  Sterimol/B2: 3.80045  Sterimol/B3: 4.405
  Sterimol/B4: 9.42042  Sterimol/L: 14.5729 
 
 Surface and Volume Properties
  Accessible surface: 635.187  Positive charged surface: 400.8  Negative charged surface: 234.387  Volume: 371.875
  Hydrophobic surface: 568.976  Hydrophilic surface: 66.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.