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DocumentationIdentifier: MM135180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135180 |
| SMILES |
N=C(N)CC(N)CCF
|
| InChIKey |
XGXZMZSPCAPXTQ-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM261880
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| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7093 |
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| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 115.18 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.05 |
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| AI: | 0
Total active interactions
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MM221760
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Similarity to MM221760
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.39 |
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| AI: | 0
Total active interactions
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+342 more
