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DocumentationIdentifier: MM28399
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28399 |
| SMILES |
CC(C#N)C(C)NCC=O
|
| InChIKey |
TVULARBIBAWRMK-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44001
Similarity: 0.7568
Similarity to MM44001
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8615 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362456
Similarity: 0.7387
Similarity to MM362456
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8497 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419619
Similarity: 0.703
Similarity to MM419619
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8256 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
