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DocumentationIdentifier: MM304711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304711 |
| SMILES |
C#CC=COC(=C)C(C)N
|
| InChIKey |
VUBSUTSDQGXILC-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162956
Similarity: 0.8411
Similarity to MM162956
| Tanimoto metric | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304481
Similarity: 0.7712
Similarity to MM304481
| Tanimoto metric | 0.7712 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8708 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304483
Similarity: 0.7317
Similarity to MM304483
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8451 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
