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DocumentationIdentifier: MM61276
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61276 |
| SMILES |
CCCNCC(F)CN
|
| InChIKey |
HHHORJGWYFTAMK-UHFFFAOYSA-N
|
| MW [Da] |
134.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257576
Similarity: 0.9206
Similarity to MM257576
| Tanimoto metric | 0.9206 |
|---|---|
| Cosine metric | 0.9595 |
| Dice metric | 0.9587 |
| MW: | 152.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61295
Similarity: 0.9063
Similarity to MM61295
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 148.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152504
Similarity: 0.8667
Similarity to MM152504
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9292 |
| Dice metric | 0.9286 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
