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DocumentationIdentifier: MM299576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299576 |
| SMILES |
C=C(C(C)C)C(O)C=CF
|
| InChIKey |
DJGHMVUCKJUNNR-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.04
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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MM367940
Similarity: 0.7333
Similarity to MM367940
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72069
Similarity: 0.669
Similarity to MM72069
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294794
Similarity: 0.6309
Similarity to MM294794
| Tanimoto metric | 0.6309 |
|---|---|
| Cosine metric | 0.7737 |
| Dice metric | 0.7737 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
