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DocumentationIdentifier: MM195429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195429 |
| SMILES |
C=COCCN1CC1C
|
| InChIKey |
FDIVMKMPRFJYCI-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124725
Similarity: 0.866
Similarity to MM124725
| Tanimoto metric | 0.866 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195368
Similarity: 0.785
Similarity to MM195368
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8796 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419273
Similarity: 0.7059
Similarity to MM419273
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8276 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
