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DocumentationIdentifier: MM401049
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM401049 |
| SMILES |
C=CC(CN)C(=CF)CC
|
| InChIKey |
GCZFBWIUCNAFLG-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380914
Similarity: 0.763
Similarity to MM380914
| Tanimoto metric | 0.763 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8655 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381073
Similarity: 0.75
Similarity to MM381073
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8571 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197609
Similarity: 0.748
Similarity to MM197609
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8559 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
