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DocumentationIdentifier: MM253477
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253477 |
| SMILES |
CC(=CCC(C)C)NC=N
|
| InChIKey |
RITISQDNYJLBNH-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159556
Similarity: 0.8617
Similarity to MM159556
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435796
Similarity: 0.8174
Similarity to MM435796
| Tanimoto metric | 0.8174 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284757
Similarity: 0.7714
Similarity to MM284757
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.871 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
