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DocumentationIdentifier: MM93556
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93556 |
| SMILES |
CC#CC=C(CN)NC=N
|
| InChIKey |
RTEBSMRWZNLZDF-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179067
Similarity: 0.8246
Similarity to MM179067
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159745
Similarity: 0.7281
Similarity to MM159745
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8426 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71378
Similarity: 0.7068
Similarity to MM71378
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8282 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
