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DocumentationIdentifier: MM52006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52006 |
| SMILES |
N#CC=C(C=O)OC=O
|
| InChIKey |
KTGBTHYVAZMTEV-UHFFFAOYSA-N
|
| MW [Da] |
125.08
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67511
Similarity: 0.7218
Similarity to MM67511
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52016
Similarity: 0.6134
Similarity to MM52016
| Tanimoto metric | 0.6134 |
|---|---|
| Cosine metric | 0.7604 |
| Dice metric | 0.7604 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52848
Similarity: 0.6102
Similarity to MM52848
| Tanimoto metric | 0.6102 |
|---|---|
| Cosine metric | 0.7579 |
| Dice metric | 0.7579 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
