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DocumentationIdentifier: MM374172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374172 |
| SMILES |
C=CC(=C)N=CNCC=O
|
| InChIKey |
DIWLVUMOHQWKLM-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61822
Similarity: 0.7816
Similarity to MM61822
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374174
Similarity: 0.699
Similarity to MM374174
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375400
Similarity: 0.6509
Similarity to MM375400
| Tanimoto metric | 0.6509 |
|---|---|
| Cosine metric | 0.7886 |
| Dice metric | 0.7886 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+11 more
