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DocumentationIdentifier: MM309743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309743 |
| SMILES |
C#CC(C)(C#C)COCC
|
| InChIKey |
FAJQQZAIOPICEE-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139627
Similarity: 0.8493
Similarity to MM139627
| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138494
Similarity: 0.8356
Similarity to MM138494
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313146
Similarity: 0.8052
Similarity to MM313146
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8921 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
