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DocumentationIdentifier: MM57792
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM57792 |
| SMILES |
COC(C)(C)CC(O)CO
|
| InChIKey |
FRSOHJDYMFJNMQ-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226058
Similarity: 0.76
Similarity to MM226058
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8636 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130631
Similarity: 0.7429
Similarity to MM130631
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58230
Similarity: 0.7368
Similarity to MM58230
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8485 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
