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DocumentationIdentifier: MM381187
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381187 |
| SMILES |
C=CCC(CO)C(C)C
|
| InChIKey |
NAWJMYNXGYLOQJ-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
MM390438
Similarity: 0.8158
Similarity to MM390438
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371477
Similarity: 0.7742
Similarity to MM371477
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367288
Similarity: 0.7714
Similarity to MM367288
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.871 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+501 more
