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


PUBCHEM-ZINC06634255

 MMsINC code: MMs03830998
Type: Neutral
Formula: C15H25NO3
SMILES:   OC(=O)CCCC(=O)NC1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C15H25NO3/c1-14(2)10-7-8-15(14,3)11(9-10)16-12(17)5-4-6-13(18)19/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t10-,11-,15+/m1/s1

Download   format file 
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)=69.4823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.52764  SlogP: 2.5723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961245  Sterimol/B1: 2.42973  Sterimol/B2: 2.49258  Sterimol/B3: 5.56955
  Sterimol/B4: 5.59738  Sterimol/L: 15.9647 
 
 Surface and Volume Properties
  Accessible surface: 510.537  Positive charged surface: 356.577  Negative charged surface: 153.96  Volume: 274.875
  Hydrophobic surface: 338.6  Hydrophilic surface: 171.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03830999
PUBCHEM-ZINC06634255