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DocumentationIdentifier: MM321052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321052 |
| SMILES |
CCC(C)N=CN(C)CC
|
| InChIKey |
DZMRMSUIKWGZRF-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169463
Similarity: 0.7407
Similarity to MM169463
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363159
Similarity: 0.7045
Similarity to MM363159
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8267 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372547
Similarity: 0.6882
Similarity to MM372547
| Tanimoto metric | 0.6882 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8153 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
