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DocumentationIdentifier: MM369659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369659 |
| SMILES |
C#CC=CCNC(=N)CC
|
| InChIKey |
YDFVBGMRVVMFOI-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167463
Similarity: 0.8315
Similarity to MM167463
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369481
Similarity: 0.7327
Similarity to MM369481
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8457 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278756
Similarity: 0.7282
Similarity to MM278756
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8427 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
