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DocumentationIdentifier: MM358447
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358447 |
| SMILES |
C#CC(CO)C(C)CC=C
|
| InChIKey |
QGUOOVMSVCNXNB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388050
Similarity: 0.7593
Similarity to MM388050
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8632 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343813
Similarity: 0.6545
Similarity to MM343813
| Tanimoto metric | 0.6545 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7912 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367288
Similarity: 0.6458
Similarity to MM367288
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.8036 |
| Dice metric | 0.7848 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
