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


CHEMDIV-ZINC05182644

 MMsINC code: MMs00994206
Type: Neutral
Formula: C24H34N2O3
SMILES:   o1c2c(c(C(=O)NC3CCCCC3)c1C)c(CN1CCCCC1CC)c(O)cc2
InChI:   InChI=1/C24H34N2O3/c1-3-18-11-7-8-14-26(18)15-19-20(27)12-13-21-23(19)22(16(2)29-21)24(28)25-17-9-5-4-6-10-17/h12-13,17-18,27H,3-11,14-15H2,1-2H3,(H,25,28)/t18-/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)=64.1378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.547 g/mol  logS: -5.5535  SlogP: 5.54022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21368  Sterimol/B1: 2.16858  Sterimol/B2: 2.26599  Sterimol/B3: 6.48663
  Sterimol/B4: 11.2768  Sterimol/L: 14.8359 
 
 Surface and Volume Properties
  Accessible surface: 624.767  Positive charged surface: 422.227  Negative charged surface: 199.946  Volume: 404
  Hydrophobic surface: 527.851  Hydrophilic surface: 96.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00994207
CHEMDIV-ZINC05182644