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DocumentationIdentifier: MM333055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333055 |
| SMILES |
C=C(CN)CC(=CC)CF
|
| InChIKey |
MUXZXMXDVMGCLO-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM333041
Similarity: 0.7786
Similarity to MM333041
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8755 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150339
Similarity: 0.7155
Similarity to MM150339
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142521
Similarity: 0.6983
Similarity to MM142521
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8223 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
