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DocumentationIdentifier: MM284998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284998 |
| SMILES |
CC#CCC=C(C)NC=N
|
| InChIKey |
PCUBMRVZJPDULX-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159634
Similarity: 0.8673
Similarity to MM159634
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.929 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386651
Similarity: 0.68
Similarity to MM386651
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8095 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385925
Similarity: 0.6693
Similarity to MM385925
| Tanimoto metric | 0.6693 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8019 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
