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DocumentationIdentifier: MM417168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417168 |
| SMILES |
CCC=C(F)CNCC=O
|
| InChIKey |
SYCLZNPGMBJYLY-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417184
Similarity: 0.6818
Similarity to MM417184
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8109 |
| Dice metric | 0.8108 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417174
Similarity: 0.6696
Similarity to MM417174
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8022 |
| Dice metric | 0.8021 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417285
Similarity: 0.6522
Similarity to MM417285
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.7895 |
| Dice metric | 0.7895 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
