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DocumentationIdentifier: MM287230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287230 |
| SMILES |
CC(=N)NCCOCC#N
|
| InChIKey |
DXFSMPIFFVVBSQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287098
Similarity: 0.7857
Similarity to MM287098
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.88 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213123
Similarity: 0.75
Similarity to MM213123
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235705
Similarity: 0.7253
Similarity to MM235705
| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8408 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
