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DocumentationIdentifier: MM371054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371054 |
| SMILES |
C=CC(=N)NCC#CCC
|
| InChIKey |
VRJPXKWMPUUMEL-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 |
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MM89910
Similarity: 0.8462
Similarity to MM89910
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371056
Similarity: 0.7778
Similarity to MM371056
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.875 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371137
Similarity: 0.7624
Similarity to MM371137
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8652 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
