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DocumentationIdentifier: MM124224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM124224 |
| SMILES |
CC#CC1C(C)N1C
|
| InChIKey |
LSQHGOGTQLIIOA-UHFFFAOYSA-N
|
| MW [Da] |
109.17
Automatically obtained from RDkit software. |
| LogP |
0.71
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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| Tanimoto metric | 0.9051 |
|---|---|
| Cosine metric | 0.9514 |
| Dice metric | 0.9502 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9378 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM212771
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| Tanimoto metric | 0.8435 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9151 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+550 more
