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DocumentationIdentifier: MM444021
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444021 |
| SMILES |
CC#CC(C)N1CC1CC
|
| InChIKey |
SKJKNKHCZCINET-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
MM210778
Similarity: 0.8212
Similarity to MM210778
| Tanimoto metric | 0.8212 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9018 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196500
Similarity: 0.7881
Similarity to MM196500
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8815 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM426595
Similarity: 0.775
Similarity to MM426595
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8732 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
