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DocumentationIdentifier: MM41996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41996 |
| SMILES |
C=CC(COC)NCC#N
|
| InChIKey |
XANUICJXFWXYGO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257935
Similarity: 0.7596
Similarity to MM257935
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43956
Similarity: 0.6827
Similarity to MM43956
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8114 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349406
Similarity: 0.6618
Similarity to MM349406
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7965 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
