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DocumentationIdentifier: MM317115
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317115 |
| SMILES |
C=CC(=N)NCC(F)CN
|
| InChIKey |
NJPBBYCVMRDPQH-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144741
Similarity: 0.8273
Similarity to MM144741
| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144301
Similarity: 0.7545
Similarity to MM144301
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250654
Similarity: 0.7034
Similarity to MM250654
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8259 |
| MW: | 147.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
