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DocumentationIdentifier: MM130991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130991 |
| SMILES |
CCC(C)(O)C(C)(C)O
|
| InChIKey |
HNIDTKCNPXBSLD-UHFFFAOYSA-N
|
| MW [Da] |
132.2
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222799
Similarity: 0.8144
Similarity to MM222799
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28648
Similarity: 0.7848
Similarity to MM28648
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137478
Similarity: 0.7556
Similarity to MM137478
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8608 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+619 more
