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DocumentationIdentifier: MM333240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333240 |
| SMILES |
C=CC(C=C)CCCO
|
| InChIKey |
IMLCNYRWJUJJHV-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM317107
Similarity: 0.8519
Similarity to MM317107
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM354969
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| Tanimoto metric | 0.806 |
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| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404035
Similarity: 0.806
Similarity to MM404035
| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
