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DocumentationIdentifier: MM368357
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368357 |
| SMILES |
CCC=CCCN(C)C=O
|
| InChIKey |
CPWWNYSKEHWWQQ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.43
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: 0.9286
Similarity to MM167320
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368359
Similarity: 0.8442
Similarity to MM368359
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.9155 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368575
Similarity: 0.8228
Similarity to MM368575
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.9028 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
