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DocumentationIdentifier: MM304442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304442 |
| SMILES |
CC(O)C(=O)NC=CCO
|
| InChIKey |
DHFABOVFGCQTMX-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162937
Similarity: 0.8879
Similarity to MM162937
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9423 |
| Dice metric | 0.9406 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73552
Similarity: 0.7939
Similarity to MM73552
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8851 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63739
Similarity: 0.7863
Similarity to MM63739
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.8803 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+581 more
