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DocumentationIdentifier: MM236869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236869 |
| SMILES |
C=C(F)CC(=N)NCCN
|
| InChIKey |
YJMTZMYYMBREDE-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135492
Similarity: 0.8609
Similarity to MM135492
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236977
Similarity: 0.7674
Similarity to MM236977
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8684 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236978
Similarity: 0.7333
Similarity to MM236978
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8462 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
