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DocumentationIdentifier: MM135632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135632 |
| SMILES |
C=CCC(=C)NC(C)=N
|
| InChIKey |
YXZHOVYWMBOGDU-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263386
Similarity: 0.819
Similarity to MM263386
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263694
Similarity: 0.7851
Similarity to MM263694
| Tanimoto metric | 0.7851 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8796 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263387
Similarity: 0.7422
Similarity to MM263387
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.852 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
