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DocumentationIdentifier: MM402098
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM402098 |
| SMILES |
CNC(CO)CNCCN
|
| InChIKey |
TWNKASRSTZVETJ-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198551
Similarity: 0.8795
Similarity to MM198551
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402096
Similarity: 0.8333
Similarity to MM402096
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402100
Similarity: 0.7849
Similarity to MM402100
| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8795 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
