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DocumentationIdentifier: MM240418
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240418 |
| SMILES |
C=CC=COC(C)(C)CC
|
| InChIKey |
QNUMWZNEQHPGGK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138602
Similarity: 0.8659
Similarity to MM138602
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240339
Similarity: 0.8182
Similarity to MM240339
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.9 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168196
Similarity: 0.7805
Similarity to MM168196
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+593 more
