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DocumentationIdentifier: MM49106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49106 |
| SMILES |
O=C(CO)OC=CCO
|
| InChIKey |
KOBLDMACQKADAD-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92303
Similarity: 0.9024
Similarity to MM92303
| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280139
Similarity: 0.8409
Similarity to MM280139
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113690
Similarity: 0.8378
Similarity to MM113690
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
