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DocumentationIdentifier: MM386346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386346 |
| SMILES |
N#CCC=C(C=O)NC=N
|
| InChIKey |
RULQTEMXGGIYJH-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46511
Similarity: 0.7111
Similarity to MM46511
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8312 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386412
Similarity: 0.6713
Similarity to MM386412
| Tanimoto metric | 0.6713 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8033 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267512
Similarity: 0.5714
Similarity to MM267512
| Tanimoto metric | 0.5714 |
|---|---|
| Cosine metric | 0.7276 |
| Dice metric | 0.7273 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
