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DocumentationIdentifier: MM349599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349599 |
| SMILES |
C=CC(=C)C(C)CCCC
|
| InChIKey |
MHSKUBKKEMSZQX-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172682
Similarity: 0.8861
Similarity to MM172682
| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9413 |
| Dice metric | 0.9396 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349735
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| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8861 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162116
Similarity: 0.7848
Similarity to MM162116
| Tanimoto metric | 0.7848 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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