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DocumentationIdentifier: MM389662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389662 |
| SMILES |
CCNCC(=CF)COC
|
| InChIKey |
JTIAFGCQQHTTOH-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63307
Similarity: 0.8349
Similarity to MM63307
| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50445
Similarity: 0.789
Similarity to MM50445
| Tanimoto metric | 0.789 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389668
Similarity: 0.736
Similarity to MM389668
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8479 |
| Dice metric | 0.8479 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
