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DocumentationIdentifier: MM58572
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58572 |
| SMILES |
C#CCC(=N)NC=CF
|
| InChIKey |
MAZBXJSCKXGSHD-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89328
Similarity: 0.7727
Similarity to MM89328
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113629
Similarity: 0.7727
Similarity to MM113629
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353830
Similarity: 0.7395
Similarity to MM353830
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+466 more
