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DocumentationIdentifier: MM41687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41687 |
| SMILES |
CC(C#N)NCCCC=O
|
| InChIKey |
KDEFRJRGABWALG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165999
Similarity: 0.8133
Similarity to MM165999
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363993
Similarity: 0.7531
Similarity to MM363993
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8592 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363695
Similarity: 0.7439
Similarity to MM363695
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8531 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
