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DocumentationIdentifier: MM82487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82487 |
| SMILES |
C=CC(CN)=C(C)CNC
|
| InChIKey |
AFIFFKPCJPKNLM-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81196
Similarity: 0.898
Similarity to MM81196
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9463 |
| Dice metric | 0.9462 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175860
Similarity: 0.8152
Similarity to MM175860
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386038
Similarity: 0.7879
Similarity to MM386038
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.8814 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+640 more
