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


CHEMDIV-ZINC04799772

 MMsINC code: MMs00957709
Type: Neutral
Formula: C25H30N2O4
SMILES:   O(C)c1ccc(cc1)C1N(C(=O)CC1C(=O)NC1CCCCC1)c1ccc(OC)cc1
InChI:   InChI=1/C25H30N2O4/c1-30-20-12-8-17(9-13-20)24-22(25(29)26-18-6-4-3-5-7-18)16-23(28)27(24)19-10-14-21(31-2)15-11-19/h8-15,18,22,24H,3-7,16H2,1-2H3,(H,26,29)/t22-,24-/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)=116.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.525 g/mol  logS: -4.78059  SlogP: 4.3424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129735  Sterimol/B1: 2.45832  Sterimol/B2: 3.45383  Sterimol/B3: 5.24408
  Sterimol/B4: 10.5035  Sterimol/L: 16.9733 
 
 Surface and Volume Properties
  Accessible surface: 661.614  Positive charged surface: 500.387  Negative charged surface: 161.227  Volume: 412.25
  Hydrophobic surface: 584.777  Hydrophilic surface: 76.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.