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DocumentationIdentifier: MM455992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455992 |
| SMILES |
CCC(C)(O)CC(C)(C)C
|
| InChIKey |
HGGJNDQMXCTKCR-UHFFFAOYSA-N
|
| MW [Da] |
144.26
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM446458
Similarity: 0.8133
Similarity to MM446458
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459356
Similarity: 0.7531
Similarity to MM459356
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8592 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437871
Similarity: 0.7416
Similarity to MM437871
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8516 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+591 more
