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DocumentationIdentifier: MM35270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35270 |
| SMILES |
N#CCC(=N)NCC=O
|
| InChIKey |
GQZHUOJFJRCERZ-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81671
Similarity: 0.7711
Similarity to MM81671
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351145
Similarity: 0.7217
Similarity to MM351145
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293566
Similarity: 0.6975
Similarity to MM293566
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8218 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
