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DocumentationIdentifier: MM366923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366923 |
| SMILES |
C=CC#CC=CC(=C)CN
|
| InChIKey |
GUCDATRFNRSRSV-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
1.25
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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MM170287
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| Tanimoto metric | 0.9351 |
|---|---|
| Cosine metric | 0.967 |
| Dice metric | 0.9664 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM366867
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| Tanimoto metric | 0.8706 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.9308 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM72947
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| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9057 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+499 more
