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DocumentationIdentifier: MM450964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450964 |
| SMILES |
C=CC(=O)CCN1CC1C
|
| InChIKey |
HOIKBQIAKFUNPN-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM451483
Similarity: 0.7742
Similarity to MM451483
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404984
Similarity: 0.6779
Similarity to MM404984
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.808 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM449456
Similarity: 0.6364
Similarity to MM449456
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7778 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
