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DocumentationIdentifier: MM254320
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254320 |
| SMILES |
C=C(C(F)=C(C)C)C(C)O
|
| InChIKey |
DUSSXIHWXJQXIE-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.19
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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MM161449
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| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6667 |
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| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 142.17 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.96 |
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MM161608
Similarity: 0.6111
Similarity to MM161608
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7817 |
| Dice metric | 0.7586 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
