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DocumentationIdentifier: MM94247
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94247 |
| SMILES |
C=CC=C(C)NC(=N)CO
|
| InChIKey |
RXSOLRJBWPDJCF-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88218
Similarity: 0.8268
Similarity to MM88218
| Tanimoto metric | 0.8268 |
|---|---|
| Cosine metric | 0.9093 |
| Dice metric | 0.9052 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136107
Similarity: 0.7323
Similarity to MM136107
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8455 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265862
Similarity: 0.7192
Similarity to MM265862
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8367 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
