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DocumentationIdentifier: MM355866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355866 |
| SMILES |
CCOCC(=N)NCC#N
|
| InChIKey |
RKAZCNYVRDSCNT-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
MM61272
Similarity: 0.8571
Similarity to MM61272
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355732
Similarity: 0.7383
Similarity to MM355732
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8495 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356143
Similarity: 0.7328
Similarity to MM356143
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8458 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+377 more
