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DocumentationIdentifier: MM378000
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378000 |
| SMILES |
C#CC(=C)C(CC=C)NC
|
| InChIKey |
WZBAYTYFGIPXLI-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197269
Similarity: 0.7926
Similarity to MM197269
| Tanimoto metric | 0.7926 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8843 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377964
Similarity: 0.7107
Similarity to MM377964
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.8309 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172854
Similarity: 0.7037
Similarity to MM172854
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
