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DocumentationIdentifier: MM438510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438510 |
| SMILES |
CC#CC1NC1C(C)CC
|
| InChIKey |
PUOOITGZTLVOEQ-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211092
Similarity: 0.8315
Similarity to MM211092
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428225
Similarity: 0.7914
Similarity to MM428225
| Tanimoto metric | 0.7914 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8836 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM443053
Similarity: 0.7475
Similarity to MM443053
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8555 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
