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DocumentationIdentifier: MM155983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155983 |
| SMILES |
C=CCOC(C)CC=C
|
| InChIKey |
IRMMNVKRVCSHKN-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM278676
Similarity: 0.8514
Similarity to MM278676
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107228
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| Tanimoto metric | 0.8413 |
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| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112724
Similarity: 0.7778
Similarity to MM112724
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+791 more
