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DocumentationIdentifier: MM318540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318540 |
| SMILES |
C#CC(F)CNC(=N)C=C
|
| InChIKey |
PSIVRWSMOJOVEL-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.71
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: 0.7778
Similarity to MM144741
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317115
Similarity: 0.6815
Similarity to MM317115
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.8106 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318361
Similarity: 0.6618
Similarity to MM318361
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7965 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
