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DocumentationIdentifier: MM23583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23583 |
| SMILES |
CN(C)C(=O)CC=CC=O
|
| InChIKey |
IGOVGIQYIWFBIO-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304514
Similarity: 0.8218
Similarity to MM304514
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9022 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168630
Similarity: 0.8043
Similarity to MM168630
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304512
Similarity: 0.802
Similarity to MM304512
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8901 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
