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


CHEMDIV-ZINC04687013

 MMsINC code: MMs00942135
Type: Neutral
Formula: C24H36N2O4
SMILES:   O(C)c1cc(ccc1OC)CCN1C(CCC1=O)(C(=O)NC1CCCC(C)C1C)C
InChI:   InChI=1/C24H36N2O4/c1-16-7-6-8-19(17(16)2)25-23(28)24(3)13-11-22(27)26(24)14-12-18-9-10-20(29-4)21(15-18)30-5/h9-10,15-17,19H,6-8,11-14H2,1-5H3,(H,25,28)/t16-,17+,19-,24-/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)=122.032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.562 g/mol  logS: -4.50769  SlogP: 3.56827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217333  Sterimol/B1: 2.25368  Sterimol/B2: 4.49343  Sterimol/B3: 4.91593
  Sterimol/B4: 9.85415  Sterimol/L: 16.666 
 
 Surface and Volume Properties
  Accessible surface: 672.761  Positive charged surface: 502.332  Negative charged surface: 170.429  Volume: 421.875
  Hydrophobic surface: 561.102  Hydrophilic surface: 111.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.