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DocumentationIdentifier: MM319562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319562 |
| SMILES |
CCC(F)(CC)C(O)CO
|
| InChIKey |
DBZQZDBOQUVBPW-UHFFFAOYSA-N
|
| MW [Da] |
150.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41473
Similarity: 0.9008
Similarity to MM41473
| Tanimoto metric | 0.9008 |
|---|---|
| Cosine metric | 0.9491 |
| Dice metric | 0.9478 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233097
Similarity: 0.7267
Similarity to MM233097
| Tanimoto metric | 0.7267 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8417 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233098
Similarity: 0.6813
Similarity to MM233098
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8104 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
