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DocumentationIdentifier: MM449008
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM449008 |
| SMILES |
C#CC=COCCOC=C
|
| InChIKey |
QLUTUTWIRQLQEV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213743
Similarity: 0.9636
Similarity to MM213743
| Tanimoto metric | 0.9636 |
|---|---|
| Cosine metric | 0.9816 |
| Dice metric | 0.9815 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39401
Similarity: 0.8545
Similarity to MM39401
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452166
Similarity: 0.8154
Similarity to MM452166
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.9004 |
| Dice metric | 0.8983 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+639 more
