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


COMGENEX-ZINC06711247

 MMsINC code: MMs01191319
Type: Neutral
Formula: C24H29N3O3
SMILES:   O1CC(N(C(=O)Cc2ccccc2)C12CCC(CC2)C)C(=O)NCc1ncccc1
InChI:   InChI=1/C24H29N3O3/c1-18-10-12-24(13-11-18)27(22(28)15-19-7-3-2-4-8-19)21(17-30-24)23(29)26-16-20-9-5-6-14-25-20/h2-9,14,18,21H,10-13,15-17H2,1H3,(H,26,29)/t18-,21-,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)=246.066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.514 g/mol  logS: -4.65554  SlogP: 3.34067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965828  Sterimol/B1: 3.71759  Sterimol/B2: 3.97103  Sterimol/B3: 5.1441
  Sterimol/B4: 7.458  Sterimol/L: 17.4627 
 
 Surface and Volume Properties
  Accessible surface: 676.868  Positive charged surface: 468.218  Negative charged surface: 208.65  Volume: 397.75
  Hydrophobic surface: 604.126  Hydrophilic surface: 72.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.