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DocumentationIdentifier: MM63514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63514 |
| SMILES |
C=C(C)CCC(O)C(C)=O
|
| InChIKey |
GUHAHBJOIFZDJO-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
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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MM47878
Similarity: 0.7411
Similarity to MM47878
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8513 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43728
Similarity: 0.7232
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| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM47851
Similarity: 0.6607
Similarity to MM47851
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.7957 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
