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DocumentationIdentifier: MM389059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389059 |
| SMILES |
NCC(C=CF)CC=CF
|
| InChIKey |
KNFVVGRGRAFLST-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
1.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178172
Similarity: 0.9012
Similarity to MM178172
| Tanimoto metric | 0.9012 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9481 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199495
Similarity: 0.8642
Similarity to MM199495
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9272 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379141
Similarity: 0.7895
Similarity to MM379141
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8824 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
