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DocumentationIdentifier: MM113376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113376 |
| SMILES |
C=CC(=N)NCC=O
|
| InChIKey |
GNDMMXAXYRIRJC-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157318
Similarity: 0.7848
Similarity to MM157318
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157320
Similarity: 0.7381
Similarity to MM157320
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98123
Similarity: 0.7258
Similarity to MM98123
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
