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DocumentationIdentifier: MM239704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239704 |
| SMILES |
CC(C)(C#N)CCCC#N
|
| InChIKey |
GBRNFMUKXFZFRJ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
2.23
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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MM227842
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| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9643 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.9286 |
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| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239595
Similarity: 0.8387
Similarity to MM239595
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9124 |
| Dice metric | 0.9123 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
