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DocumentationIdentifier: MM379172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379172 |
| SMILES |
C=CCC(C=CCN)=CF
|
| InChIKey |
ZDLQPMJPYWZVOK-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200891
Similarity: 0.8
Similarity to MM200891
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377260
Similarity: 0.7248
Similarity to MM377260
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8404 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420004
Similarity: 0.6991
Similarity to MM420004
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8229 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
