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DocumentationIdentifier: MM397085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397085 |
| SMILES |
C#CC(=C)CCC(O)CC
|
| InChIKey |
XYENJIITCKGBCV-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371553
Similarity: 0.8438
Similarity to MM371553
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351288
Similarity: 0.7658
Similarity to MM351288
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8673 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381442
Similarity: 0.7642
Similarity to MM381442
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8666 |
| Dice metric | 0.8663 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+687 more
