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DocumentationIdentifier: MM65811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65811 |
| SMILES |
C=CC(CN)NCC(=C)F
|
| InChIKey |
QPVBYQIZQYQOOA-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198846
Similarity: 0.76
Similarity to MM198846
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144363
Similarity: 0.75
Similarity to MM144363
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65935
Similarity: 0.6752
Similarity to MM65935
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8061 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+284 more
