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DocumentationIdentifier: MM406578
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406578 |
| SMILES |
C=CC=COC(C=C)CF
|
| InChIKey |
HMILSNDRLYHRLP-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199540
Similarity: 0.8696
Similarity to MM199540
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168202
Similarity: 0.75
Similarity to MM168202
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168353
Similarity: 0.663
Similarity to MM168353
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.7974 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
