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DocumentationIdentifier: MM417174
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417174 |
| SMILES |
C=CC=C(F)CNCC=O
|
| InChIKey |
MQOJZNNJMUHAKZ-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283530
Similarity: 0.7333
Similarity to MM283530
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8462 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417184
Similarity: 0.6881
Similarity to MM417184
| Tanimoto metric | 0.6881 |
|---|---|
| Cosine metric | 0.8153 |
| Dice metric | 0.8152 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417168
Similarity: 0.6696
Similarity to MM417168
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8022 |
| Dice metric | 0.8021 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
