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DocumentationIdentifier: MM404340
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404340 |
| SMILES |
N#CCCNC(C=O)C=O
|
| InChIKey |
AVYDQBLBPDMXKB-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
MM37994
Similarity: 0.7089
Similarity to MM37994
| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8296 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28057
Similarity: 0.7065
Similarity to MM28057
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8309 |
| Dice metric | 0.828 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454128
Similarity: 0.6471
Similarity to MM454128
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7857 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
