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DocumentationIdentifier: MM351161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351161 |
| SMILES |
CC(C#N)C(=O)C(O)CO
|
| InChIKey |
CAMMAYZGAMLDLO-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160870
Similarity: 0.7464
Similarity to MM160870
| Tanimoto metric | 0.7464 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8548 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173066
Similarity: 0.6957
Similarity to MM173066
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160786
Similarity: 0.6594
Similarity to MM160786
| Tanimoto metric | 0.6594 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.7948 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
