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DocumentationIdentifier: MM180986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180986 |
| SMILES |
CCC(C(=N)N)C(C)C
|
| InChIKey |
GPZRPLLEOANMKW-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308066
Similarity: 0.9512
Similarity to MM308066
| Tanimoto metric | 0.9512 |
|---|---|
| Cosine metric | 0.9753 |
| Dice metric | 0.975 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160090
Similarity: 0.7912
Similarity to MM160090
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8834 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306713
Similarity: 0.7723
Similarity to MM306713
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8715 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
