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DocumentationIdentifier: MM404400
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404400 |
| SMILES |
C#CCCCC(C#N)C#N
|
| InChIKey |
LJUDBPKOJCBTOW-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
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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MM166190
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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM199159
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| Tanimoto metric | 0.7419 |
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| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 122.17 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM316139
Similarity: 0.7397
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| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8506 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
