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DocumentationIdentifier: MM368575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368575 |
| SMILES |
C=CC=CCCN(C)C=O
|
| InChIKey |
USEQTUXAUJJOLX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167320
Similarity: 0.8784
Similarity to MM167320
| Tanimoto metric | 0.8784 |
|---|---|
| Cosine metric | 0.9372 |
| Dice metric | 0.9353 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368357
Similarity: 0.8228
Similarity to MM368357
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9028 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368359
Similarity: 0.8025
Similarity to MM368359
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8905 |
| Dice metric | 0.8904 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
