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DocumentationIdentifier: MM345626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345626 |
| SMILES |
C=CC(C#CC(=N)N)=CC
|
| InChIKey |
IQMAFNNMLMOQQJ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77946
Similarity: 0.7731
Similarity to MM77946
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.872 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253104
Similarity: 0.6815
Similarity to MM253104
| Tanimoto metric | 0.6815 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8106 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253149
Similarity: 0.6767
Similarity to MM253149
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8072 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+401 more
