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DocumentationIdentifier: MM378384
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378384 |
| SMILES |
C#CCN(C=C)C=NCC
|
| InChIKey |
ARHNRWGFUGCQTA-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200669
Similarity: 0.7347
Similarity to MM200669
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157896
Similarity: 0.6735
Similarity to MM157896
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8049 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83330
Similarity: 0.6606
Similarity to MM83330
| Tanimoto metric | 0.6606 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7956 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
