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DocumentationIdentifier: MM397051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397051 |
| SMILES |
C=CC(=CCC#N)C(C)=O
|
| InChIKey |
ZLCFALJIRQPFGU-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180756
Similarity: 0.7983
Similarity to MM180756
| Tanimoto metric | 0.7983 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397049
Similarity: 0.7111
Similarity to MM397049
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8312 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318905
Similarity: 0.6597
Similarity to MM318905
| Tanimoto metric | 0.6597 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.795 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
