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DocumentationIdentifier: MM317988
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317988 |
| SMILES |
C=CC(=O)CCC(F)C#N
|
| InChIKey |
FTIZHOMNSCVWSK-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144728
Similarity: 0.7364
Similarity to MM144728
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317425
Similarity: 0.6532
Similarity to MM317425
| Tanimoto metric | 0.6532 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7902 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317429
Similarity: 0.6457
Similarity to MM317429
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7858 |
| Dice metric | 0.7847 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
