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DocumentationIdentifier: MM331698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331698 |
| SMILES |
CC=C(CC(F)CC)OC
|
| InChIKey |
ROCJAGNHIXJHDW-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142015
Similarity: 0.7308
Similarity to MM142015
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331702
Similarity: 0.6582
Similarity to MM331702
| Tanimoto metric | 0.6582 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7939 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224354
Similarity: 0.65
Similarity to MM224354
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.788 |
| Dice metric | 0.7879 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
