Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM407576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407576 |
| SMILES |
C#CC(C#C)C(C)OC=O
|
| InChIKey |
ZVTYKCLEKJGPEK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172293
Similarity: 0.8889
Similarity to MM172293
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233315
Similarity: 0.6929
Similarity to MM233315
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8186 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407026
Similarity: 0.6667
Similarity to MM407026
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
