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DocumentationIdentifier: MM371523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371523 |
| SMILES |
C=CCCNCC(C)=CF
|
| InChIKey |
GISJBRIYILCXJQ-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
MM71241
Similarity: 0.8667
Similarity to MM71241
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9286 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371356
Similarity: 0.8171
Similarity to MM371356
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8993 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258780
Similarity: 0.8025
Similarity to MM258780
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8907 |
| Dice metric | 0.8904 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+716 more
