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DocumentationIdentifier: MM463453
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM463453 |
| SMILES |
N#CCNCCC(=O)CO
|
| InChIKey |
SHLATLZBBQWXJX-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71710
Similarity: 0.7935
Similarity to MM71710
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8848 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440049
Similarity: 0.75
Similarity to MM440049
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258126
Similarity: 0.7374
Similarity to MM258126
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8488 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
