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DocumentationIdentifier: MM294505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294505 |
| SMILES |
C=C(C=CC)C(O)CC#N
|
| InChIKey |
GRTFSWOHINJSRR-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387834
Similarity: 0.7561
Similarity to MM387834
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369170
Similarity: 0.6923
Similarity to MM369170
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8182 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397766
Similarity: 0.662
Similarity to MM397766
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7966 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
