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DocumentationIdentifier: MM126709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126709 |
| SMILES |
CC=CC=CCCN
|
| InChIKey |
ZGHQJIRAALOTRO-UHFFFAOYSA-N
|
| MW [Da] |
111.19
Automatically obtained from RDkit software. |
| LogP |
1.47
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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MM215482
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Similarity to MM215482
| Tanimoto metric | 0.9487 |
|---|---|
| Cosine metric | 0.974 |
| Dice metric | 0.9737 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8605 |
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| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.63 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM100874
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Similarity to MM100874
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+609 more
