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DocumentationIdentifier: MM350623
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350623 |
| SMILES |
C=C(C)C(O)C=CCCC
|
| InChIKey |
MXNTWWWRLPIYTN-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.28
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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MM356862
Similarity: 0.871
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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.931 |
| Dice metric | 0.931 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319975
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| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9101 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM343503
Similarity: 0.767
Similarity to MM343503
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8681 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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