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DocumentationIdentifier: MM44723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44723 |
| SMILES |
C#CC(C=O)(C=O)NCC
|
| InChIKey |
TWRDXPKJMSDCAE-UHFFFAOYSA-N
|
| MW [Da] |
139.15
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
MM44475
Similarity: 0.8091
Similarity to MM44475
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46732
Similarity: 0.7686
Similarity to MM46732
| Tanimoto metric | 0.7686 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8692 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46003
Similarity: 0.7623
Similarity to MM46003
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8651 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
