Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM443053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM443053 |
| SMILES |
C#CCC(C)C1NC1C#C
|
| InChIKey |
JNLXGJBUCJOTEN-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211092
Similarity: 0.881
Similarity to MM211092
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428225
Similarity: 0.8362
Similarity to MM428225
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9108 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438510
Similarity: 0.7475
Similarity to MM438510
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8555 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
