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DocumentationIdentifier: MM162917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162917 |
| SMILES |
C=C(CC=CF)C(C)C
|
| InChIKey |
OXSIEBOGEVAECV-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
3.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM255941
Similarity: 0.8025
Similarity to MM255941
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113592
Similarity: 0.7385
Similarity to MM113592
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174107
Similarity: 0.7059
Similarity to MM174107
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8276 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+543 more
