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


NCID-ZINC04428630

 MMsINC code: MMs02386931
Type: Neutral
Formula: C25H30N2O4
SMILES:   O(C(=O)c1c(C)c([nH]c1C)C(c1[nH]c(C)c(C(OCC)=O)c1C)c1ccccc1)C
C
InChI:   InChI=1/C25H30N2O4/c1-7-30-24(28)19-14(3)22(26-16(19)5)21(18-12-10-9-11-13-18)23-15(4)20(17(6)27-23)25(29)31-8-2/h9-13,21,26-27H,7-8H2,1-6H3

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)=110.576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.525 g/mol  logS: -4.38815  SlogP: 5.11008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178821  Sterimol/B1: 3.59896  Sterimol/B2: 3.96451  Sterimol/B3: 5.42612
  Sterimol/B4: 9.90868  Sterimol/L: 18.6958 
 
 Surface and Volume Properties
  Accessible surface: 771.285  Positive charged surface: 470.017  Negative charged surface: 301.268  Volume: 426.75
  Hydrophobic surface: 639.094  Hydrophilic surface: 132.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.