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DocumentationIdentifier: MM131552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131552 |
| SMILES |
C=CCNCC(F)(F)F
|
| InChIKey |
NWXJQPBOJWODIW-UHFFFAOYSA-N
|
| MW [Da] |
139.12
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102727
Similarity: 0.7636
Similarity to MM102727
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 127.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152928
Similarity: 0.6716
Similarity to MM152928
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8036 |
| MW: | 139.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130367
Similarity: 0.6615
Similarity to MM130367
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.7964 |
| Dice metric | 0.7963 |
| MW: | 141.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
