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DocumentationIdentifier: MM228123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228123 |
| SMILES |
C=CC(C)(C)CCC(=C)F
|
| InChIKey |
AJKUQKIWOVFHOQ-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.46
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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MM144410
Similarity: 0.8025
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| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7407 |
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| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM341342
Similarity: 0.7303
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| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8442 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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