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DocumentationIdentifier: MM383440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383440 |
| SMILES |
C=CC(=CC#N)OC=CC
|
| InChIKey |
VEOSBDITWCPCDL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM420898
Similarity: 0.8318
Similarity to MM420898
| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9082 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200418
Similarity: 0.7255
Similarity to MM200418
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8409 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383442
Similarity: 0.7236
Similarity to MM383442
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8396 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
