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DocumentationIdentifier: MM455023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455023 |
| SMILES |
NCC(CN)NCC1CC1
|
| InChIKey |
SPJHLOBBHOTQTH-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM345487
Similarity: 0.8211
Similarity to MM345487
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.9017 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455019
Similarity: 0.7549
Similarity to MM455019
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8603 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402218
Similarity: 0.75
Similarity to MM402218
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
