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DocumentationIdentifier: MM169412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169412 |
| SMILES |
CNCC=CC(O)CN
|
| InChIKey |
CYIPILCBMAIUKN-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363234
Similarity: 0.8161
Similarity to MM363234
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113979
Similarity: 0.7887
Similarity to MM113979
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM62769
Similarity: 0.7746
Similarity to MM62769
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+659 more
