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DocumentationIdentifier: MM60059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60059 |
| SMILES |
N#CCC(C=O)NCC=O
|
| InChIKey |
KKQKTUCLYLBHFL-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28010
Similarity: 0.8558
Similarity to MM28010
| Tanimoto metric | 0.8558 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9223 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46509
Similarity: 0.7478
Similarity to MM46509
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8557 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419619
Similarity: 0.7396
Similarity to MM419619
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8503 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
