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DocumentationIdentifier: MM61272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61272 |
| SMILES |
COCC(=N)NCC#N
|
| InChIKey |
VOUHXQJANDYUDM-UHFFFAOYSA-N
|
| MW [Da] |
127.15
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355866
Similarity: 0.8571
Similarity to MM355866
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356143
Similarity: 0.8155
Similarity to MM356143
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52920
Similarity: 0.7619
Similarity to MM52920
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
