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DocumentationIdentifier: MM410395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410395 |
| SMILES |
C=CN(C=C)C(=O)CCF
|
| InChIKey |
HTWPULNBGBWNMO-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53506
Similarity: 0.7818
Similarity to MM53506
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8842 |
| Dice metric | 0.8776 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294672
Similarity: 0.7206
Similarity to MM294672
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8376 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111948
Similarity: 0.6727
Similarity to MM111948
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
