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DocumentationIdentifier: MM440572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440572 |
| SMILES |
C#CCN1CC1CCC#N
|
| InChIKey |
MYHLGMCSPIJAJG-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194738
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Similarity to MM194738
| Tanimoto metric | 0.8201 |
|---|---|
| Cosine metric | 0.9056 |
| Dice metric | 0.9012 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM216635
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| Tanimoto metric | 0.8129 |
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| Cosine metric | 0.9016 |
| Dice metric | 0.8968 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM440014
Similarity: 0.7793
Similarity to MM440014
| Tanimoto metric | 0.7793 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.876 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
