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DocumentationIdentifier: MM306976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306976 |
| SMILES |
C=CC(=CCC)CNC=O
|
| InChIKey |
XSVOLCKSPKDCTR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305125
Similarity: 0.8137
Similarity to MM305125
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306968
Similarity: 0.7982
Similarity to MM306968
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8878 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360303
Similarity: 0.7383
Similarity to MM360303
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8495 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
