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DocumentationIdentifier: MM82123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82123 |
| SMILES |
CNC(C)CNC(C)C
|
| InChIKey |
DWRCCIXFGALMLN-UHFFFAOYSA-N
|
| MW [Da] |
130.24
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250497
Similarity: 0.9322
Similarity to MM250497
| Tanimoto metric | 0.9322 |
|---|---|
| Cosine metric | 0.9655 |
| Dice metric | 0.9649 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224697
Similarity: 0.8333
Similarity to MM224697
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81054
Similarity: 0.8182
Similarity to MM81054
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 116.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+599 more
