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DocumentationIdentifier: MM57884
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57884 |
| SMILES |
C#CC=CNC=NCCO
|
| InChIKey |
QNDBGFFEUDBSCO-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71356
Similarity: 0.7176
Similarity to MM71356
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8356 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453175
Similarity: 0.7176
Similarity to MM453175
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8356 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24316
Similarity: 0.7045
Similarity to MM24316
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8267 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
