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DocumentationIdentifier: MM57631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57631 |
| SMILES |
C#CC(C)(N)C(C=C)OC
|
| InChIKey |
RPUWDZIGGUVYPK-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48220
Similarity: 0.7135
Similarity to MM48220
| Tanimoto metric | 0.7135 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8328 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58174
Similarity: 0.6966
Similarity to MM58174
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8212 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55214
Similarity: 0.6742
Similarity to MM55214
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8054 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
