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DocumentationIdentifier: MM378857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378857 |
| SMILES |
C#CC#CCC(C)C(C)O
|
| InChIKey |
UWRMBBWLQWYJLR-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386774
Similarity: 0.8539
Similarity to MM386774
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385897
Similarity: 0.8172
Similarity to MM385897
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8994 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354093
Similarity: 0.7935
Similarity to MM354093
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8848 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+550 more
