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DocumentationIdentifier: MM212770
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM212770 |
| SMILES |
CCC#CC1C(C)N1C
|
| InChIKey |
GDTBFDDQZOIIJI-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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MM446300
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| Tanimoto metric | 0.9716 |
|---|---|
| Cosine metric | 0.9857 |
| Dice metric | 0.9856 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM446375
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| Tanimoto metric | 0.9073 |
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| Cosine metric | 0.9525 |
| Dice metric | 0.9514 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124224
Similarity: 0.9051
Similarity to MM124224
| Tanimoto metric | 0.9051 |
|---|---|
| Cosine metric | 0.9514 |
| Dice metric | 0.9502 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
