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DocumentationIdentifier: MM177984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177984 |
| SMILES |
N#CC(CCO)NC=O
|
| InChIKey |
FEGDIXOFFNNDQN-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387163
Similarity: 0.8018
Similarity to MM387163
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37586
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Similarity to MM37586
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376719
Similarity: 0.7177
Similarity to MM376719
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8357 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
