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DocumentationIdentifier: MM296326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296326 |
| SMILES |
C=CC=C(F)C(=C)CCN
|
| InChIKey |
XCPJMWQYVIMSJX-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
MM174853
Similarity: 0.8189
Similarity to MM174853
| Tanimoto metric | 0.8189 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9004 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296251
Similarity: 0.766
Similarity to MM296251
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8675 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354667
Similarity: 0.7095
Similarity to MM354667
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.83 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
