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DocumentationIdentifier: MM386412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386412 |
| SMILES |
C#CCC=C(C=O)NC=N
|
| InChIKey |
VELGHLJIJBSPGM-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159634
Similarity: 0.7083
Similarity to MM159634
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46511
Similarity: 0.7059
Similarity to MM46511
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8276 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386346
Similarity: 0.6713
Similarity to MM386346
| Tanimoto metric | 0.6713 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8033 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
