Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM226624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226624 |
| SMILES |
C#CC(C)CC(C)(O)C#C
|
| InChIKey |
GNOGPAKDCFYHBO-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
MM130706
Similarity: 0.8462
Similarity to MM130706
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138538
Similarity: 0.8462
Similarity to MM138538
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57898
Similarity: 0.8019
Similarity to MM57898
| Tanimoto metric | 0.8019 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8901 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+718 more
