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DocumentationIdentifier: MM150289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150289 |
| SMILES |
C=CC(=CF)CC(C)O
|
| InChIKey |
KGMUWENVCCNHKU-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM273262
Similarity: 0.7769
Similarity to MM273262
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332364
Similarity: 0.7705
Similarity to MM332364
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM332420
Similarity: 0.7581
Similarity to MM332420
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
