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DocumentationIdentifier: MM240339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240339 |
| SMILES |
CCC=COC(C)(C)CC
|
| InChIKey |
VJIRGJHGEUYQSM-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
3.12
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: 0.9103
Similarity to MM138602
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240418
Similarity: 0.8182
Similarity to MM240418
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.9 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240341
Similarity: 0.7889
Similarity to MM240341
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.882 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+680 more
