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DocumentationIdentifier: MM317153
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317153 |
| SMILES |
C=CC(=C)OCC(F)CC
|
| InChIKey |
NLDSOSKRQFOXRF-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144341
Similarity: 0.8073
Similarity to MM144341
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250673
Similarity: 0.72
Similarity to MM250673
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8372 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318066
Similarity: 0.6822
Similarity to MM318066
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8111 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
