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DocumentationIdentifier: MM307250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307250 |
| SMILES |
CC=CC(C(=N)N)C(C)C
|
| InChIKey |
KKBTVEKJMJVBRP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180148
Similarity: 0.8
Similarity to MM180148
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM181029
Similarity: 0.776
Similarity to MM181029
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305756
Similarity: 0.7153
Similarity to MM305756
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.834 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
