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


ENAMINE-ZINC02648099

 MMsINC code: MMs01273541
Type: Neutral
Formula: C23H24N2O4
SMILES:   O=C1N(CCC1)c1ccc(cc1)C(OCC(=O)NC1CCCc2c1cccc2)=O
InChI:   InChI=1/C23H24N2O4/c26-21(24-20-8-3-6-16-5-1-2-7-19(16)20)15-29-23(28)17-10-12-18(13-11-17)25-14-4-9-22(25)27/h1-2,5,7,10-13,20H,3-4,6,8-9,14-15H2,(H,24,26)/t20-/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)=94.3261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -4.93657  SlogP: 3.25947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390279  Sterimol/B1: 2.097  Sterimol/B2: 2.38364  Sterimol/B3: 5.29157
  Sterimol/B4: 7.30871  Sterimol/L: 20.7532 
 
 Surface and Volume Properties
  Accessible surface: 682.849  Positive charged surface: 439.905  Negative charged surface: 242.944  Volume: 375.625
  Hydrophobic surface: 570.191  Hydrophilic surface: 112.658
 
 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.