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DocumentationIdentifier: MM284306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284306 |
| SMILES |
C=CC=C(C)C=CNC=O
|
| InChIKey |
ICGNYMBKQHIFNZ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM170357
Similarity: 0.8659
Similarity to MM170357
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371540
Similarity: 0.7907
Similarity to MM371540
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8831 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284232
Similarity: 0.7396
Similarity to MM284232
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8503 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
