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DocumentationIdentifier: MM232912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232912 |
| SMILES |
N#CC(CO)CCN1CC1
|
| InChIKey |
PTKQFMXVKAOWKL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60259
Similarity: 0.8018
Similarity to MM60259
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209050
Similarity: 0.7387
Similarity to MM209050
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8497 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455418
Similarity: 0.6949
Similarity to MM455418
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.82 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
