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DocumentationIdentifier: MM279148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279148 |
| SMILES |
CC(C=CF)CNCC=O
|
| InChIKey |
MPLMEKHASILMHY-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45020
Similarity: 0.759
Similarity to MM45020
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251417
Similarity: 0.7204
Similarity to MM251417
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8375 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279147
Similarity: 0.7204
Similarity to MM279147
| Tanimoto metric | 0.7204 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8375 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+622 more
