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DocumentationIdentifier: MM159604
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159604 |
| SMILES |
C=COC=C(F)CC#N
|
| InChIKey |
CWWRWZCMBPWGAQ-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34265
Similarity: 0.85
Similarity to MM34265
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 115.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114736
Similarity: 0.7375
Similarity to MM114736
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290465
Similarity: 0.7079
Similarity to MM290465
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8289 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
