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DocumentationIdentifier: MM377606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377606 |
| SMILES |
CCC(=O)C(CO)N=CN
|
| InChIKey |
UEDOFRFQWAFKQD-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377608
Similarity: 0.6588
Similarity to MM377608
| Tanimoto metric | 0.6588 |
|---|---|
| Cosine metric | 0.7943 |
| Dice metric | 0.7943 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377880
Similarity: 0.6087
Similarity to MM377880
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7574 |
| Dice metric | 0.7568 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61163
Similarity: 0.5614
Similarity to MM61163
| Tanimoto metric | 0.5614 |
|---|---|
| Cosine metric | 0.7206 |
| Dice metric | 0.7191 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+49 more
