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DocumentationIdentifier: MM441487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441487 |
| SMILES |
C=CC=CC1CN1CC=C
|
| InChIKey |
KLQUGTRPWZAZLT-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217106
Similarity: 0.9044
Similarity to MM217106
| Tanimoto metric | 0.9044 |
|---|---|
| Cosine metric | 0.951 |
| Dice metric | 0.9498 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194900
Similarity: 0.8456
Similarity to MM194900
| Tanimoto metric | 0.8456 |
|---|---|
| Cosine metric | 0.9196 |
| Dice metric | 0.9163 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448183
Similarity: 0.8311
Similarity to MM448183
| Tanimoto metric | 0.8311 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9077 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
