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DocumentationIdentifier: MM173959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173959 |
| SMILES |
CC=CC(O)C(N)CF
|
| InChIKey |
RLYJNNMHZXKSAM-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37138
Similarity: 0.872
Similarity to MM37138
| Tanimoto metric | 0.872 |
|---|---|
| Cosine metric | 0.9338 |
| Dice metric | 0.9316 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355099
Similarity: 0.872
Similarity to MM355099
| Tanimoto metric | 0.872 |
|---|---|
| Cosine metric | 0.9338 |
| Dice metric | 0.9316 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355424
Similarity: 0.8074
Similarity to MM355424
| Tanimoto metric | 0.8074 |
|---|---|
| Cosine metric | 0.8986 |
| Dice metric | 0.8934 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+611 more
