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DocumentationIdentifier: MM195767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195767 |
| SMILES |
CC=CC=CC1CN1C
|
| InChIKey |
AWPWBSIHTACLAK-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124951
Similarity: 0.8879
Similarity to MM124951
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9423 |
| Dice metric | 0.9406 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448183
Similarity: 0.7926
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| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309861
Similarity: 0.7181
Similarity to MM309861
| Tanimoto metric | 0.7181 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8359 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
