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


CHEMDIV-ZINC06877548

 MMsINC code: MMs01052976
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CC(=O)N2C1CCCC2)Cc1ccc(cc1)C(=O)NCc1ccccc1C
InChI:   InChI=1/C24H27N3O3/c1-17-6-2-3-7-20(17)14-25-23(29)19-11-9-18(10-12-19)15-26-16-22(28)27-13-5-4-8-21(27)24(26)30/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3,(H,25,29)/t21-/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)=112.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -4.78254  SlogP: 3.18112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950943  Sterimol/B1: 2.72243  Sterimol/B2: 4.21991  Sterimol/B3: 4.76552
  Sterimol/B4: 7.37712  Sterimol/L: 18.3897 
 
 Surface and Volume Properties
  Accessible surface: 687.893  Positive charged surface: 445.214  Negative charged surface: 242.678  Volume: 397.625
  Hydrophobic surface: 568.483  Hydrophilic surface: 119.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.