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DocumentationIdentifier: MM170982
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170982 |
| SMILES |
CCNCC=C(C)CF
|
| InChIKey |
ZNSQMHRDOLKEBG-UHFFFAOYSA-N
|
| MW [Da] |
131.19
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369932
Similarity: 0.9412
Similarity to MM369932
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260797
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| Tanimoto metric | 0.8889 |
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| Cosine metric | 0.9428 |
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| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369787
Similarity: 0.8649
Similarity to MM369787
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+593 more
