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DocumentationIdentifier: MM359828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359828 |
| SMILES |
CC(=CCCO)C(O)CO
|
| InChIKey |
SSVMVIRFEKQCJM-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175071
Similarity: 0.899
Similarity to MM175071
| Tanimoto metric | 0.899 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9468 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359824
Similarity: 0.8018
Similarity to MM359824
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.89 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270281
Similarity: 0.7983
Similarity to MM270281
| Tanimoto metric | 0.7983 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8879 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+762 more
