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DocumentationIdentifier: MM279261
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279261 |
| SMILES |
CC=CC(=N)NCCCO
|
| InChIKey |
VMZPJQTWXYUBQK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM279260
Similarity: 0.75
Similarity to MM279260
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8571 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279337
Similarity: 0.7429
Similarity to MM279337
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8526 |
| Dice metric | 0.8525 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251567
Similarity: 0.729
Similarity to MM251567
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8432 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
