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DocumentationIdentifier: MM291463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291463 |
| SMILES |
CC(CNCCO)OC=O
|
| InChIKey |
DIOWCSWZKXGEEQ-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM68967
Similarity: 0.9036
Similarity to MM68967
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58791
Similarity: 0.7732
Similarity to MM58791
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8721 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165572
Similarity: 0.759
Similarity to MM165572
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+408 more
