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DocumentationIdentifier: MM81864
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81864 |
| SMILES |
CNCCC(F)C#CCO
|
| InChIKey |
ZPCFWXIYQTWBNZ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157487
Similarity: 0.7959
Similarity to MM157487
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358255
Similarity: 0.7315
Similarity to MM358255
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8449 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358253
Similarity: 0.7222
Similarity to MM358253
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8387 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
