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DocumentationIdentifier: MM232387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232387 |
| SMILES |
C#CCOCCC(C)(C)F
|
| InChIKey |
CTCBQZYCTCNUKG-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.77
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: 0.8148
Similarity to MM131466
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 134.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152611
Similarity: 0.7901
Similarity to MM152611
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232301
Similarity: 0.7857
Similarity to MM232301
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.88 |
| MW: | 148.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+641 more
