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DocumentationIdentifier: MM58595
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58595 |
| SMILES |
C=CC(C(=C)C)N(C)C
|
| InChIKey |
STCNWDGISGNADH-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308191
Similarity: 0.8302
Similarity to MM308191
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68167
Similarity: 0.7727
Similarity to MM68167
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64172
Similarity: 0.75
Similarity to MM64172
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
