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DocumentationIdentifier: MM243145
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243145 |
| SMILES |
C=CC(O)(CC=O)CCC
|
| InChIKey |
VLCFTABEZJQHND-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM139402
Similarity: 0.7603
Similarity to MM139402
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61496
Similarity: 0.7244
Similarity to MM61496
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8402 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77200
Similarity: 0.7239
Similarity to MM77200
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8398 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
