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DocumentationIdentifier: MM305663
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305663 |
| SMILES |
C#CCN(C=NC)C(C)C
|
| InChIKey |
NQWGFEQHWDRENC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179767
Similarity: 0.7849
Similarity to MM179767
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8795 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178204
Similarity: 0.7312
Similarity to MM178204
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180115
Similarity: 0.6989
Similarity to MM180115
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
