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DocumentationIdentifier: MM240161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240161 |
| SMILES |
CC=CCNC(C)(C)C#N
|
| InChIKey |
JYBATDUEVDOCKL-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138452
Similarity: 0.8625
Similarity to MM138452
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9287 |
| Dice metric | 0.9262 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240162
Similarity: 0.7188
Similarity to MM240162
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8364 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226468
Similarity: 0.7113
Similarity to MM226468
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8313 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+438 more
