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DocumentationIdentifier: MM370220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370220 |
| SMILES |
N#CCCOC=C(F)C#N
|
| InChIKey |
OMJOITPOUIQNBQ-UHFFFAOYSA-N
|
| MW [Da] |
140.12
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154880
Similarity: 0.8152
Similarity to MM154880
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93757
Similarity: 0.8119
Similarity to MM93757
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8962 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370273
Similarity: 0.7664
Similarity to MM370273
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8677 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
