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DocumentationIdentifier: MM357982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357982 |
| SMILES |
C#CC#CC(C)C(F)C=O
|
| InChIKey |
MPPRPXITZXTVGB-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174589
Similarity: 0.8198
Similarity to MM174589
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380204
Similarity: 0.7266
Similarity to MM380204
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8416 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163534
Similarity: 0.7117
Similarity to MM163534
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
