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DocumentationIdentifier: MM237548
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237548 |
| SMILES |
C=C(C=CCO)CC(C)O
|
| InChIKey |
XSCXDOPMMIBCHU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386817
Similarity: 0.875
Similarity to MM386817
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370275
Similarity: 0.7456
Similarity to MM370275
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8543 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264275
Similarity: 0.735
Similarity to MM264275
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8473 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
