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DocumentationIdentifier: MM232301
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232301 |
| SMILES |
CCCOCCC(C)(C)F
|
| InChIKey |
FTHZVYPVKRYFOT-UHFFFAOYSA-N
|
| MW [Da] |
148.22
Automatically obtained from RDkit software. |
| LogP |
2.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131466
Similarity: 0.9565
Similarity to MM131466
| Tanimoto metric | 0.9565 |
|---|---|
| Cosine metric | 0.978 |
| Dice metric | 0.9778 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102722
Similarity: 0.7971
Similarity to MM102722
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 120.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232387
Similarity: 0.7857
Similarity to MM232387
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.88 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
