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DocumentationIdentifier: MM281057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281057 |
| SMILES |
C#CC#CCC(C)OC=O
|
| InChIKey |
XQXRMDQJBBVICK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157058
Similarity: 0.8444
Similarity to MM157058
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281004
Similarity: 0.7835
Similarity to MM281004
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8786 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281005
Similarity: 0.77
Similarity to MM281005
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8701 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
