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DocumentationIdentifier: MM240132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240132 |
| SMILES |
CC(C)(C#N)COC=CF
|
| InChIKey |
LQBMDPAUEVPGEQ-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167284
Similarity: 0.8395
Similarity to MM167284
| Tanimoto metric | 0.8395 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9128 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138433
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| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405226
Similarity: 0.764
Similarity to MM405226
| Tanimoto metric | 0.764 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8662 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
