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DocumentationIdentifier: MM43728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43728 |
| SMILES |
C=C(C)CCC(O)C=O
|
| InChIKey |
VFNYAVZCKWFMII-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78627
Similarity: 0.802
Similarity to MM78627
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318193
Similarity: 0.7364
Similarity to MM318193
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63514
Similarity: 0.7232
Similarity to MM63514
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+535 more
