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DocumentationIdentifier: MM315535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315535 |
| SMILES |
CCC(O)CCC(F)C#N
|
| InChIKey |
PCDIZPRWHICJSI-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM315543
Similarity: 0.7798
Similarity to MM315543
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8763 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316001
Similarity: 0.7297
Similarity to MM316001
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8438 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144009
Similarity: 0.7128
Similarity to MM144009
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8323 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
