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DocumentationIdentifier: MM141529
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM141529 |
| SMILES |
NC(CF)CC(N)CF
|
| InChIKey |
VMISJPYRBQATFB-UHFFFAOYSA-N
|
| MW [Da] |
138.16
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104133
Similarity: 0.931
Similarity to MM104133
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62957
Similarity: 0.8276
Similarity to MM62957
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 123.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141524
Similarity: 0.7297
Similarity to MM141524
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.8438 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
