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


ENAMINE-ZINC03595903

 MMsINC code: MMs01519972
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C24H27N3O3/c1-17-10-8-9-15-24(17)22(29)27(23(30)26-24)16-20(28)25-21(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,21H,8-10,15-16H2,1H3,(H,25,28)(H,26,30)/t17-,24+/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)=61.7108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.41577  SlogP: 3.4884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959364  Sterimol/B1: 2.80116  Sterimol/B2: 2.84822  Sterimol/B3: 5.71357
  Sterimol/B4: 7.91378  Sterimol/L: 17.9062 
 
 Surface and Volume Properties
  Accessible surface: 674.809  Positive charged surface: 408.117  Negative charged surface: 266.692  Volume: 396
  Hydrophobic surface: 556.52  Hydrophilic surface: 118.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.