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DocumentationIdentifier: MM349406
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349406 |
| SMILES |
C=C(OC)C(C)NCC#N
|
| InChIKey |
XYCQFRZEKDHTKC-UHFFFAOYSA-N
|
| MW [Da] |
140.19
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
MM28482
Similarity: 0.7481
Similarity to MM28482
| Tanimoto metric | 0.7481 |
|---|---|
| Cosine metric | 0.8564 |
| Dice metric | 0.8559 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41996
Similarity: 0.6618
Similarity to MM41996
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7965 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60777
Similarity: 0.6557
Similarity to MM60777
| Tanimoto metric | 0.6557 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.7921 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
