Log in
Browse 
Membranes
Search
Statistics
Lab
Documentation4-propylpent-2-ynedinitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02012 |
| SMILES |
CCCC(C#N)C#CC#N
|
| InChIKey |
OZFXGEOKGBENLT-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
140250072
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM379924
Similarity: 0.8298
Similarity to MM379924
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.907 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201271
Similarity: 0.7778
Similarity to MM201271
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389438
Similarity: 0.7677
Similarity to MM389438
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8686 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
