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DocumentationIdentifier: MM441594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441594 |
| SMILES |
C#CCN1CC1C=CC=C
|
| InChIKey |
AACRJJSMGRFMFU-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194920
Similarity: 0.8506
Similarity to MM194920
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217106
Similarity: 0.7987
Similarity to MM217106
| Tanimoto metric | 0.7987 |
|---|---|
| Cosine metric | 0.8937 |
| Dice metric | 0.8881 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441610
Similarity: 0.7529
Similarity to MM441610
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.859 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
