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DocumentationIdentifier: MM304593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304593 |
| SMILES |
C=CC=CNC(=O)C(C)O
|
| InChIKey |
CXDMRHWDAQSLEY-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162937
Similarity: 0.8729
Similarity to MM162937
| Tanimoto metric | 0.8729 |
|---|---|
| Cosine metric | 0.9343 |
| Dice metric | 0.9321 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304442
Similarity: 0.7863
Similarity to MM304442
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.8803 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63739
Similarity: 0.7744
Similarity to MM63739
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8729 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
