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DocumentationIdentifier: MM217306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217306 |
| SMILES |
CCC#CC1CN1CC
|
| InChIKey |
GNGCQLXLKUUOQH-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.1
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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MM448297
Similarity: 0.9365
Similarity to MM448297
| Tanimoto metric | 0.9365 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9672 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448299
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| Tanimoto metric | 0.9365 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9672 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM448338
Similarity: 0.9008
Similarity to MM448338
| Tanimoto metric | 0.9008 |
|---|---|
| Cosine metric | 0.9491 |
| Dice metric | 0.9478 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
