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DocumentationIdentifier: MM42111
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42111 |
| SMILES |
C=CC#CCNC(C)C#N
|
| InChIKey |
GYJSRAUKIPPVBW-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167672
Similarity: 0.8442
Similarity to MM167672
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370593
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Similarity to MM370593
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8742 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370454
Similarity: 0.7558
Similarity to MM370454
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8609 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
