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DocumentationIdentifier: MM400422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400422 |
| SMILES |
CC(O)CC(C)(C)C
|
| InChIKey |
OIBKGNPMOMMSSI-UHFFFAOYSA-N
|
| MW [Da] |
116.2
Automatically obtained from RDkit software. |
| LogP |
1.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM442315
Similarity: 0.7778
Similarity to MM442315
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441496
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| Cosine metric | 0.8819 |
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| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
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|---|---|---|---|---|---|
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MM388176
Similarity: 0.7619
Similarity to MM388176
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 102.18 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+563 more
