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DocumentationIdentifier: MM236039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236039 |
| SMILES |
CC(C)OCC#CC(=N)N
|
| InChIKey |
OFKCQXCNSLVFDB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM84317
Similarity: 0.8118
Similarity to MM84317
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8961 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289849
Similarity: 0.7802
Similarity to MM289849
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8765 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289850
Similarity: 0.7753
Similarity to MM289850
| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8734 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
