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DocumentationIdentifier: MM282810
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282810 |
| SMILES |
C=CCC#CC(=O)NCC
|
| InChIKey |
SCPFWMVFMGUWLU-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
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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MM158490
Similarity: 0.8333
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM71078
Similarity: 0.7642
Similarity to MM71078
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8666 |
| Dice metric | 0.8663 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
