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DocumentationIdentifier: MM194920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194920 |
| SMILES |
C#CCN1CC1C=CC
|
| InChIKey |
QHOYKCYQFMRVPM-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM441610
Similarity: 0.8675
Similarity to MM441610
| Tanimoto metric | 0.8675 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.9291 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441594
Similarity: 0.8506
Similarity to MM441594
| Tanimoto metric | 0.8506 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9193 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441598
Similarity: 0.8344
Similarity to MM441598
| Tanimoto metric | 0.8344 |
|---|---|
| Cosine metric | 0.9135 |
| Dice metric | 0.9097 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
