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DocumentationIdentifier: MM45168
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45168 |
| SMILES |
NC(=O)CCC#CC=O
|
| InChIKey |
SNROXIRLBMPMFN-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33490
Similarity: 0.8462
Similarity to MM33490
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236059
Similarity: 0.8025
Similarity to MM236059
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68653
Similarity: 0.7808
Similarity to MM68653
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8769 |
| Dice metric | 0.8769 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
