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DocumentationIdentifier: MM329170
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329170 |
| SMILES |
C=CC(CF)CC(=O)CC
|
| InChIKey |
XFAIDVMGUPRWNX-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149987
Similarity: 0.8036
Similarity to MM149987
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262661
Similarity: 0.7049
Similarity to MM262661
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8269 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329683
Similarity: 0.6767
Similarity to MM329683
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8072 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
