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DocumentationIdentifier: MM302631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302631 |
| SMILES |
C=C(F)C(=C)CCNCC
|
| InChIKey |
OTWZFCHFDUVWAY-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96191
Similarity: 0.8739
Similarity to MM96191
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9348 |
| Dice metric | 0.9327 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255197
Similarity: 0.7638
Similarity to MM255197
| Tanimoto metric | 0.7638 |
|---|---|
| Cosine metric | 0.8661 |
| Dice metric | 0.8661 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302842
Similarity: 0.7405
Similarity to MM302842
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8509 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
