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DocumentationIdentifier: MM302879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302879 |
| SMILES |
CC1(C)CN1CC(N)=O
|
| InChIKey |
YPVDYBKRTISORX-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM306463
Similarity: 0.7733
Similarity to MM306463
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297883
Similarity: 0.7594
Similarity to MM297883
| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302925
Similarity: 0.6516
Similarity to MM302925
| Tanimoto metric | 0.6516 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7891 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+8 more
