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DocumentationIdentifier: MM238135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238135 |
| SMILES |
CC(F)=CC(=N)NCCN
|
| InChIKey |
OKRZOKDBDHPRQM-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
MM136219
Similarity: 0.8509
Similarity to MM136219
| Tanimoto metric | 0.8509 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238136
Similarity: 0.7405
Similarity to MM238136
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8509 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51366
Similarity: 0.7313
Similarity to MM51366
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8448 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
