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DocumentationIdentifier: MM453933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453933 |
| SMILES |
C=C(F)CNC(C=O)CC
|
| InChIKey |
ZRTCJNMCAFLSKC-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400838
Similarity: 0.7863
Similarity to MM400838
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8803 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452461
Similarity: 0.6061
Similarity to MM452461
| Tanimoto metric | 0.6061 |
|---|---|
| Cosine metric | 0.7556 |
| Dice metric | 0.7547 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35510
Similarity: 0.5772
Similarity to MM35510
| Tanimoto metric | 0.5772 |
|---|---|
| Cosine metric | 0.7397 |
| Dice metric | 0.732 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
