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DocumentationIdentifier: MM334242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334242 |
| SMILES |
C=CC(=CC)NC(=N)CC
|
| InChIKey |
FOJSUGORPFUWDU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150532
Similarity: 0.7591
Similarity to MM150532
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143105
Similarity: 0.7445
Similarity to MM143105
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8536 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142718
Similarity: 0.7226
Similarity to MM142718
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
