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DocumentationIdentifier: MM179938
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179938 |
| SMILES |
C=CC(CCC)C(=N)N
|
| InChIKey |
ZCIKVJUCMMAMJP-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.52
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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MM275243
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Similarity to MM275243
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9327 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8661 |
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| Cosine metric | 0.9306 |
| Dice metric | 0.9282 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM393256
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Similarity to MM393256
| Tanimoto metric | 0.8435 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9151 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
