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


CHEMBRIDGE-ZINC02993205

 MMsINC code: MMs00747618
Type: Neutral
Formula: C25H41NO2
SMILES:   O(CC(O)CN(C1CCCCC1)C1CCCCC1)c1cc(C)c(cc1)C(C)C
InChI:   InChI=1/C25H41NO2/c1-19(2)25-15-14-24(16-20(25)3)28-18-23(27)17-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-16,19,21-23,27H,4-13,17-18H2,1-3H3/t23-/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)=111.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.608 g/mol  logS: -6.05117  SlogP: 5.82552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691245  Sterimol/B1: 2.30906  Sterimol/B2: 5.08753  Sterimol/B3: 5.73928
  Sterimol/B4: 7.48103  Sterimol/L: 17.473 
 
 Surface and Volume Properties
  Accessible surface: 723.037  Positive charged surface: 531.702  Negative charged surface: 191.335  Volume: 423.625
  Hydrophobic surface: 642.454  Hydrophilic surface: 80.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00747619
CHEMBRIDGE-ZINC02993205