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DocumentationIdentifier: MM364005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364005 |
| SMILES |
CC(C#N)NCCOC=O
|
| InChIKey |
XDSVQCOYPUMDKC-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43973
Similarity: 0.8375
Similarity to MM43973
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363705
Similarity: 0.7614
Similarity to MM363705
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.865 |
| Dice metric | 0.8645 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213112
Similarity: 0.7375
Similarity to MM213112
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
