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DocumentationIdentifier: MM390123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390123 |
| SMILES |
CC=C(CNCC)OC=O
|
| InChIKey |
AMDDGRIESIPABX-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM390284
Similarity: 0.7287
Similarity to MM390284
| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.843 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54523
Similarity: 0.6912
Similarity to MM54523
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8174 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306578
Similarity: 0.6912
Similarity to MM306578
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8174 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
