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DocumentationIdentifier: MM405782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405782 |
| SMILES |
CCC(CO)OC=CCO
|
| InChIKey |
YLMCGTSWUTYJCN-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405780
Similarity: 0.8211
Similarity to MM405780
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9017 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73412
Similarity: 0.8163
Similarity to MM73412
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.8989 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387913
Similarity: 0.75
Similarity to MM387913
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.8571 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+581 more
