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DocumentationIdentifier: MM380241
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380241 |
| SMILES |
C#CC#CC(C#C)NC=O
|
| InChIKey |
DNQDNBYMXIKLAA-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158437
Similarity: 0.8315
Similarity to MM158437
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178406
Similarity: 0.809
Similarity to MM178406
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283090
Similarity: 0.7475
Similarity to MM283090
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8555 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
