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DocumentationIdentifier: MM282019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282019 |
| SMILES |
C#CCC(=C)C=CNC=O
|
| InChIKey |
BCUFEXYGHFQVHP-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169882
Similarity: 0.7609
Similarity to MM169882
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282018
Similarity: 0.6909
Similarity to MM282018
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8172 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281791
Similarity: 0.6604
Similarity to MM281791
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.7955 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
