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


OTAVA-ZINC01985927

MMsINC code: MMs02577842

Type: Neutral
Formula: C23H26N2O4
SMILES:   O=C1N(CC(C1)C(OC(C(=O)Nc1ccc(cc1C)C)C)=O)Cc1ccccc1
InChI:   InChI=1/C23H26N2O4/c1-15-9-10-20(16(2)11-15)24-22(27)17(3)29-23(28)19-12-21(26)25(14-19)13-18-7-5-4-6-8-18/h4-11,17,19H,12-14H2,1-3H3,(H,24,27)/t17-,19+/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)=77.4557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -4.57846  SlogP: 3.48874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666649  Sterimol/B1: 2.53275  Sterimol/B2: 4.03283  Sterimol/B3: 5.09599
  Sterimol/B4: 7.56385  Sterimol/L: 19.6367 
 
 Surface and Volume Properties
  Accessible surface: 714.104  Positive charged surface: 442.329  Negative charged surface: 271.775  Volume: 391.125
  Hydrophobic surface: 590.919  Hydrophilic surface: 123.185
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.