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DocumentationIdentifier: MM379616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379616 |
| SMILES |
C=CC(=C)C(C=CF)CN
|
| InChIKey |
RKSPXRYPXJLVCF-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180145
Similarity: 0.7647
Similarity to MM180145
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM401168
Similarity: 0.7203
Similarity to MM401168
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8374 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197376
Similarity: 0.7143
Similarity to MM197376
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
