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DocumentationIdentifier: MM142811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142811 |
| SMILES |
C#CC(=O)OC(=C)CC
|
| InChIKey |
YPJZCXHLAPMKFX-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263863
Similarity: 0.8595
Similarity to MM263863
| Tanimoto metric | 0.8595 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9244 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263853
Similarity: 0.8254
Similarity to MM263853
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246567
Similarity: 0.8189
Similarity to MM246567
| Tanimoto metric | 0.8189 |
|---|---|
| Cosine metric | 0.9049 |
| Dice metric | 0.9004 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
