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


PUBCHEM-ZINC04710947

 MMsINC code: MMs03161951
Type: Neutral
Formula: C18H29N
SMILES:   N(C(C)(C)C)C/C(=C/c1ccccc1)/CCCCC
InChI:   InChI=1/C18H29N/c1-5-6-8-13-17(15-19-18(2,3)4)14-16-11-9-7-10-12-16/h7,9-12,14,19H,5-6,8,13,15H2,1-4H3/b17-14-

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)=60.4124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.437 g/mol  logS: -4.69066  SlogP: 5.0384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113048  Sterimol/B1: 2.90108  Sterimol/B2: 4.22621  Sterimol/B3: 4.92614
  Sterimol/B4: 6.14436  Sterimol/L: 15.3241 
 
 Surface and Volume Properties
  Accessible surface: 553.963  Positive charged surface: 375.614  Negative charged surface: 178.349  Volume: 307.125
  Hydrophobic surface: 469.271  Hydrophilic surface: 84.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03161952
PUBCHEM-ZINC04710947