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DocumentationIdentifier: MM196500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196500 |
| SMILES |
CC#CC(C)N1CC1C
|
| InChIKey |
IEMKWIOQZXRIII-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM446634
Similarity: 0.8561
Similarity to MM446634
| Tanimoto metric | 0.8561 |
|---|---|
| Cosine metric | 0.9253 |
| Dice metric | 0.9225 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM444100
Similarity: 0.844
Similarity to MM444100
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM444021
Similarity: 0.7881
Similarity to MM444021
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8815 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
