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DocumentationIdentifier: MM221128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221128 |
| SMILES |
CC(CC(C)(C)C)NC=N
|
| InChIKey |
NJWVDPQNPVKSQS-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135129
Similarity: 0.8519
Similarity to MM135129
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261388
Similarity: 0.6699
Similarity to MM261388
| Tanimoto metric | 0.6699 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8023 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261389
Similarity: 0.6635
Similarity to MM261389
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7977 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
