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


ENAMINE-ZINC05200121

 MMsINC code: MMs01595933
Type: Neutral
Formula: C24H25NO5
SMILES:   o1c2c(cccc2)c(COC)c1C(OC(C(=O)NC1CCCc2c1cccc2)C)=O
InChI:   InChI=1/C24H25NO5/c1-15(23(26)25-20-12-7-9-16-8-3-4-10-17(16)20)29-24(27)22-19(14-28-2)18-11-5-6-13-21(18)30-22/h3-6,8,10-11,13,15,20H,7,9,12,14H2,1-2H3,(H,25,26)/t15-,20-/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)=89.8506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.466 g/mol  logS: -6.6496  SlogP: 4.68017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640764  Sterimol/B1: 2.49443  Sterimol/B2: 4.44876  Sterimol/B3: 5.81505
  Sterimol/B4: 7.10484  Sterimol/L: 19.0093 
 
 Surface and Volume Properties
  Accessible surface: 705.727  Positive charged surface: 468.061  Negative charged surface: 232.456  Volume: 393.375
  Hydrophobic surface: 604.085  Hydrophilic surface: 101.642
 
 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.