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DocumentationIdentifier: MM218741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM218741 |
| SMILES |
CC1C(C#N)N1CCF
|
| InChIKey |
QPNWPHDJVGPKBS-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.55
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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MM127461
Similarity: 0.7676
Similarity to MM127461
| Tanimoto metric | 0.7676 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8685 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127800
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| Tanimoto metric | 0.7254 |
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| Cosine metric | 0.8517 |
| Dice metric | 0.8408 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM218781
Similarity: 0.7143
Similarity to MM218781
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8333 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
