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DocumentationIdentifier: MM363234
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363234 |
| SMILES |
N=CNCC=CC(O)CN
|
| InChIKey |
DURPUPRNZJHEOB-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169412
Similarity: 0.8161
Similarity to MM169412
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154060
Similarity: 0.8161
Similarity to MM154060
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363258
Similarity: 0.6762
Similarity to MM363258
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8068 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
