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DocumentationIdentifier: MM72705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72705 |
| SMILES |
CC(C=O)N(C)CC#N
|
| InChIKey |
XPGMBGNCBSZHCB-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM432825
Similarity: 0.681
Similarity to MM432825
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8103 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450696
Similarity: 0.6709
Similarity to MM450696
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.803 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72493
Similarity: 0.6702
Similarity to MM72493
| Tanimoto metric | 0.6702 |
|---|---|
| Cosine metric | 0.8026 |
| Dice metric | 0.8025 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
