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DocumentationIdentifier: MM365804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365804 |
| SMILES |
C=CC(CO)CC(C)C
|
| InChIKey |
NJVRIXIPFDWUMT-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350848
Similarity: 0.8873
Similarity to MM350848
| Tanimoto metric | 0.8873 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9403 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368744
Similarity: 0.8571
Similarity to MM368744
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366311
Similarity: 0.84
Similarity to MM366311
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+581 more
