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DocumentationIdentifier: MM145705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145705 |
| SMILES |
C=C(F)CNCC(O)C#N
|
| InChIKey |
NJTFMISRSFZUPC-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145647
Similarity: 0.7264
Similarity to MM145647
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8415 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145698
Similarity: 0.6111
Similarity to MM145698
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7594 |
| Dice metric | 0.7586 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145428
Similarity: 0.5515
Similarity to MM145428
| Tanimoto metric | 0.5515 |
|---|---|
| Cosine metric | 0.7109 |
| Dice metric | 0.7109 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
