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DocumentationIdentifier: MM236977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236977 |
| SMILES |
C=CCNC(=N)CC(=C)F
|
| InChIKey |
JPAOWBSBMUBMOX-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
1.61
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: 0.8761
Similarity to MM135492
| Tanimoto metric | 0.8761 |
|---|---|
| Cosine metric | 0.936 |
| Dice metric | 0.934 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236869
Similarity: 0.7674
Similarity to MM236869
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8684 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236978
Similarity: 0.7444
Similarity to MM236978
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8534 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
