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DocumentationIdentifier: MM289348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289348 |
| SMILES |
CN=CNCC=CC(C)N
|
| InChIKey |
SAPJGDMTGCUFOT-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154059
Similarity: 0.8472
Similarity to MM154059
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289346
Similarity: 0.7073
Similarity to MM289346
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8286 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126142
Similarity: 0.6528
Similarity to MM126142
| Tanimoto metric | 0.6528 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.7899 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+535 more
