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DocumentationIdentifier: MM285345
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM285345 |
| SMILES |
C#CC=CC=C(C)NC=O
|
| InChIKey |
MEYWTYKLQKQSBD-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159707
Similarity: 0.8111
Similarity to MM159707
| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285315
Similarity: 0.7475
Similarity to MM285315
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8555 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285271
Similarity: 0.7019
Similarity to MM285271
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8249 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
