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DocumentationIdentifier: MM89091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89091 |
| SMILES |
N#CC=CN(C=O)CC#N
|
| InChIKey |
TZSLEVZTAZZITP-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51404
Similarity: 0.8632
Similarity to MM51404
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200713
Similarity: 0.8211
Similarity to MM200713
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89054
Similarity: 0.7193
Similarity to MM89054
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8367 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+104 more
