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DocumentationIdentifier: MM52880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52880 |
| SMILES |
C=CC(CO)N(C)CC#N
|
| InChIKey |
ZCVRQVOIAHYLFI-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196969
Similarity: 0.7565
Similarity to MM196969
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257935
Similarity: 0.687
Similarity to MM257935
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM259812
Similarity: 0.6696
Similarity to MM259812
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+184 more
