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DocumentationIdentifier: MM262805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262805 |
| SMILES |
CC(C=O)CC(=O)CC#N
|
| InChIKey |
QMGQLUOJYPXHDR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293443
Similarity: 0.7429
Similarity to MM293443
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8531 |
| Dice metric | 0.8525 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142206
Similarity: 0.7273
Similarity to MM142206
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262662
Similarity: 0.6737
Similarity to MM262662
| Tanimoto metric | 0.6737 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.805 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
