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DocumentationIdentifier: MM196066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196066 |
| SMILES |
C#CCN1CC1C(C)C
|
| InChIKey |
CZPDGPVYHWUQKA-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
0.96
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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MM276605
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Similarity to MM276605
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9302 |
| Dice metric | 0.9278 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127726
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| Tanimoto metric | 0.7623 |
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| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM434530
Similarity: 0.7531
Similarity to MM434530
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
