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DocumentationIdentifier: MM456802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456802 |
| SMILES |
CCC=CC=CCCNC
|
| InChIKey |
INMOUGUBOZYXGG-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
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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MM215110
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| Tanimoto metric | 0.9608 |
|---|---|
| Cosine metric | 0.9802 |
| Dice metric | 0.98 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126066
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| Tanimoto metric | 0.8431 |
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| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.34 |
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|---|---|---|---|---|---|
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Total active interactions
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MM290522
Similarity: 0.8167
Similarity to MM290522
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9009 |
| Dice metric | 0.8991 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+800 more
