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DocumentationIdentifier: MM86688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86688 |
| SMILES |
C#CC=C(C#C)N(C)C=O
|
| InChIKey |
NOBYHFBOAPMVLB-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51071
Similarity: 0.7578
Similarity to MM51071
| Tanimoto metric | 0.7578 |
|---|---|
| Cosine metric | 0.8705 |
| Dice metric | 0.8622 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52071
Similarity: 0.6875
Similarity to MM52071
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361484
Similarity: 0.6806
Similarity to MM361484
| Tanimoto metric | 0.6806 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8099 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
