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DocumentationIdentifier: MM289346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289346 |
| SMILES |
CN=CNCC=CC(C)C
|
| InChIKey |
CMGMAIWASNDBME-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154058
Similarity: 0.8382
Similarity to MM154058
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289348
Similarity: 0.7073
Similarity to MM289348
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8286 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126142
Similarity: 0.6912
Similarity to MM126142
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8174 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
