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DocumentationIdentifier: MM414607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414607 |
| SMILES |
NC=C(C=O)OCCC=O
|
| InChIKey |
GODDLFPNAXKBKE-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200113
Similarity: 0.8812
Similarity to MM200113
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342130
Similarity: 0.7965
Similarity to MM342130
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8867 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413888
Similarity: 0.7672
Similarity to MM413888
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8683 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
