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DocumentationIdentifier: MM94056
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94056 |
| SMILES |
CN(C=O)C(CO)CC#N
|
| InChIKey |
LETYBPOZDFAZNX-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196894
Similarity: 0.7623
Similarity to MM196894
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51239
Similarity: 0.7213
Similarity to MM51239
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24635
Similarity: 0.6803
Similarity to MM24635
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8098 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
