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DocumentationIdentifier: MM453527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453527 |
| SMILES |
C=CNC=NCC#CCF
|
| InChIKey |
XFPHRSYSXNUOLB-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215473
Similarity: 0.8082
Similarity to MM215473
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453523
Similarity: 0.7468
Similarity to MM453523
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8565 |
| Dice metric | 0.8551 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453525
Similarity: 0.686
Similarity to MM453525
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8138 |
| Dice metric | 0.8138 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
