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DocumentationIdentifier: MM226467
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226467 |
| SMILES |
C=CC(C)(C)NC(C)C#N
|
| InChIKey |
HHTPUWIEBHPUFE-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
MM138451
Similarity: 0.8023
Similarity to MM138451
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226468
Similarity: 0.7917
Similarity to MM226468
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.8837 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224270
Similarity: 0.7708
Similarity to MM224270
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8706 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+596 more
