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DocumentationIdentifier: MM272742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272742 |
| SMILES |
N=C(N)CC(C=CF)CN
|
| InChIKey |
XXHRLJIIUKLXPK-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149990
Similarity: 0.7436
Similarity to MM149990
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8529 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135739
Similarity: 0.735
Similarity to MM135739
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272801
Similarity: 0.6515
Similarity to MM272801
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.7911 |
| Dice metric | 0.789 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
