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DocumentationIdentifier: MM102786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102786 |
| SMILES |
C#CCCC(C)(C)F
|
| InChIKey |
GATHAZDEHVYJPJ-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131659
Similarity: 0.8
Similarity to MM131659
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM232563
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| Tanimoto metric | 0.7536 |
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| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM138316
Similarity: 0.7324
Similarity to MM138316
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+633 more
