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DocumentationIdentifier: MM304192
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304192 |
| SMILES |
C=CC=C(CCO)NC=O
|
| InChIKey |
GSSHNJAIYYXALW-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
MM51485
Similarity: 0.8
Similarity to MM51485
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304071
Similarity: 0.6957
Similarity to MM304071
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8205 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76232
Similarity: 0.6736
Similarity to MM76232
| Tanimoto metric | 0.6736 |
|---|---|
| Cosine metric | 0.805 |
| Dice metric | 0.805 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
