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DocumentationIdentifier: MM127236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127236 |
| SMILES |
CNCC=CC1CN1
|
| InChIKey |
COJCZSHEAHEUFI-UHFFFAOYSA-N
|
| MW [Da] |
112.18
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102228
Similarity: 0.8906
Similarity to MM102228
| Tanimoto metric | 0.8906 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9421 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM121276
Similarity: 0.8133
Similarity to MM121276
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.8986 |
| Dice metric | 0.8971 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459696
Similarity: 0.7901
Similarity to MM459696
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
