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DocumentationIdentifier: MM280506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280506 |
| SMILES |
C#CC=COC(=O)CC=C
|
| InChIKey |
XUCWCSBJAPMJJA-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168737
Similarity: 0.8367
Similarity to MM168737
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280378
Similarity: 0.7407
Similarity to MM280378
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8511 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280287
Similarity: 0.7193
Similarity to MM280287
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8367 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
