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DocumentationIdentifier: MM373431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373431 |
| SMILES |
C#CC1(C)CN1CCCC
|
| InChIKey |
AHEBSFOGACEQTA-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177320
Similarity: 0.9063
Similarity to MM177320
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373558
Similarity: 0.8788
Similarity to MM373558
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.936 |
| Dice metric | 0.9355 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM271665
Similarity: 0.8639
Similarity to MM271665
| Tanimoto metric | 0.8639 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.927 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
