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DocumentationIdentifier: MM368125
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368125 |
| SMILES |
CC=CCC#CC(N)CC
|
| InChIKey |
VACZYFICWZHIIR-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170482
Similarity: 0.8481
Similarity to MM170482
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282695
Similarity: 0.7753
Similarity to MM282695
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8734 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM154645
Similarity: 0.7722
Similarity to MM154645
| Tanimoto metric | 0.7722 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+856 more
