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DocumentationIdentifier: MM237838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237838 |
| SMILES |
C=C(C)OC(=O)C#CC#N
|
| InChIKey |
QCQCXQKVEXKARS-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135952
Similarity: 0.8151
Similarity to MM135952
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237850
Similarity: 0.7239
Similarity to MM237850
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8398 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158601
Similarity: 0.7143
Similarity to MM158601
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
