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DocumentationIdentifier: MM267836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267836 |
| SMILES |
C=CC(=C)C=C(C)NC=O
|
| InChIKey |
NTPIOIZLSZAEMK-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136501
Similarity: 0.7913
Similarity to MM136501
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267718
Similarity: 0.6571
Similarity to MM267718
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7931 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282401
Similarity: 0.6529
Similarity to MM282401
| Tanimoto metric | 0.6529 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.79 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
