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DocumentationIdentifier: MM404592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404592 |
| SMILES |
C#CC(CC)CC(O)CC
|
| InChIKey |
KQMPNBFUZKVJET-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373576
Similarity: 0.8022
Similarity to MM373576
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439866
Similarity: 0.7979
Similarity to MM439866
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8876 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406983
Similarity: 0.7802
Similarity to MM406983
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
