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DocumentationIdentifier: MM237871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237871 |
| SMILES |
CC(=NC(C)C)NCCN
|
| InChIKey |
ZGJDQGYJVNYSED-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223442
Similarity: 0.7579
Similarity to MM223442
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8623 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360125
Similarity: 0.699
Similarity to MM360125
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8229 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237902
Similarity: 0.6952
Similarity to MM237902
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8204 |
| Dice metric | 0.8202 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
