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DocumentationIdentifier: MM194720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194720 |
| SMILES |
CCCN1CC1CC#N
|
| InChIKey |
RYCYSBVIZKPLPE-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM440394
Similarity: 0.9655
Similarity to MM440394
| Tanimoto metric | 0.9655 |
|---|---|
| Cosine metric | 0.9826 |
| Dice metric | 0.9825 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM127696
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| Tanimoto metric | 0.8929 |
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| Cosine metric | 0.9449 |
| Dice metric | 0.9434 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM440389
Similarity: 0.8485
Similarity to MM440389
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
