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DocumentationIdentifier: MM195130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195130 |
| SMILES |
C#CC(CC)N1CC1C
|
| InChIKey |
OIAWOTOSGBHYHS-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
MM428515
Similarity: 0.8389
Similarity to MM428515
| Tanimoto metric | 0.8389 |
|---|---|
| Cosine metric | 0.9159 |
| Dice metric | 0.9124 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210778
Similarity: 0.7535
Similarity to MM210778
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8594 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425935
Similarity: 0.7396
Similarity to MM425935
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
