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DocumentationIdentifier: MM129958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129958 |
| SMILES |
CC(C)(C)CC(F)CO
|
| InChIKey |
YCRHGVUTQWGVTP-UHFFFAOYSA-N
|
| MW [Da] |
134.19
Automatically obtained from RDkit software. |
| LogP |
1.75
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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MM104154
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225918
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| Tanimoto metric | 0.7333 |
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| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM220597
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Similarity to MM220597
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+564 more
