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DocumentationIdentifier: MM439897
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439897 |
| SMILES |
CNCC1NC1CCCO
|
| InChIKey |
UGPFHFCHDHKTRH-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194628
Similarity: 0.8
Similarity to MM194628
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127587
Similarity: 0.6643
Similarity to MM127587
| Tanimoto metric | 0.6643 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.7983 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439891
Similarity: 0.6497
Similarity to MM439891
| Tanimoto metric | 0.6497 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7876 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
