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DocumentationIdentifier: MM131658
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131658 |
| SMILES |
CCNC(C=O)C(O)C#N
|
| InChIKey |
YRLXRJXZNZONHC-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131063
Similarity: 0.6839
Similarity to MM131063
| Tanimoto metric | 0.6839 |
|---|---|
| Cosine metric | 0.8123 |
| Dice metric | 0.8123 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124995
Similarity: 0.5911
Similarity to MM124995
| Tanimoto metric | 0.5911 |
|---|---|
| Cosine metric | 0.7465 |
| Dice metric | 0.743 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376703
Similarity: 0.5495
Similarity to MM376703
| Tanimoto metric | 0.5495 |
|---|---|
| Cosine metric | 0.7097 |
| Dice metric | 0.7092 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
