Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM89507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89507 |
| SMILES |
N#CCC(C#N)C#CCO
|
| InChIKey |
YNGFFAVSAJLLPD-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201232
Similarity: 0.8132
Similarity to MM201232
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178392
Similarity: 0.7912
Similarity to MM178392
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380022
Similarity: 0.7273
Similarity to MM380022
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8421 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
