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DocumentationIdentifier: MM372032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372032 |
| SMILES |
CN=C(C)NCC=CC#N
|
| InChIKey |
YHFQTDMAFWOIAY-UHFFFAOYSA-N
|
| MW [Da] |
137.19
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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MM167973
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Similarity to MM167973
| Tanimoto metric | 0.8202 |
|---|---|
| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113889
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| Tanimoto metric | 0.6742 |
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| Cosine metric | 0.8211 |
| Dice metric | 0.8054 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214044
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Similarity to MM214044
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8054 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
