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DocumentationIdentifier: MM91967
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91967 |
| SMILES |
CCC(=O)OCC#CCO
|
| InChIKey |
ZBFZRJIHJJJTFE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
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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MM167708
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| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371017
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Similarity to MM371017
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8994 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM370830
Similarity: 0.8085
Similarity to MM370830
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8942 |
| Dice metric | 0.8941 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
