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DocumentationIdentifier: MM253523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253523 |
| SMILES |
CCCC(C)=CNC(C)=O
|
| InChIKey |
BHXYYQLZZBBMAA-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146635
Similarity: 0.8218
Similarity to MM146635
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346949
Similarity: 0.7944
Similarity to MM346949
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8866 |
| Dice metric | 0.8854 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253579
Similarity: 0.7328
Similarity to MM253579
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8458 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
