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DocumentationIdentifier: MM335083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335083 |
| SMILES |
C#CC(CO)CCCCC
|
| InChIKey |
GZGJIAZRLUGTJX-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
MM334848
Similarity: 0.9014
Similarity to MM334848
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334943
Similarity: 0.8312
Similarity to MM334943
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9078 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335093
Similarity: 0.8312
Similarity to MM335093
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9078 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
