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DocumentationIdentifier: MM279589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279589 |
| SMILES |
CC#CC(=O)NCCOC
|
| InChIKey |
RLGFIQDOGZJRLS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157547
Similarity: 0.8367
Similarity to MM157547
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167051
Similarity: 0.8163
Similarity to MM167051
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358714
Similarity: 0.7455
Similarity to MM358714
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8542 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
