Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM339085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339085 |
| SMILES |
C=CC(CC#CC)CCO
|
| InChIKey |
WVWDWGKGMPPCAK-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199704
Similarity: 0.7241
Similarity to MM199704
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408526
Similarity: 0.7033
Similarity to MM408526
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8258 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408539
Similarity: 0.6939
Similarity to MM408539
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8193 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+688 more
