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DocumentationIdentifier: MM272107
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272107 |
| SMILES |
CC(C)CC(C=O)CC#N
|
| InChIKey |
ZCVFIDWXBKYBJY-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177976
Similarity: 0.8421
Similarity to MM177976
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261618
Similarity: 0.8049
Similarity to MM261618
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8919 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387269
Similarity: 0.7765
Similarity to MM387269
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8742 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+363 more
