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DocumentationIdentifier: MM130349
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130349 |
| SMILES |
CC(O)CCC(C)(C)O
|
| InChIKey |
KZWQVDXGMOSSNY-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
MM220514
Similarity: 0.9655
Similarity to MM220514
| Tanimoto metric | 0.9655 |
|---|---|
| Cosine metric | 0.9826 |
| Dice metric | 0.9825 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406979
Similarity: 0.8276
Similarity to MM406979
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9057 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423218
Similarity: 0.7857
Similarity to MM423218
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 116.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+663 more
