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DocumentationIdentifier: MM127158
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127158 |
| SMILES |
NCC=CCN1CC1
|
| InChIKey |
PXVQCJLAYOBNOI-UHFFFAOYSA-N
|
| MW [Da] |
112.18
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102212
Similarity: 0.8679
Similarity to MM102212
| Tanimoto metric | 0.8679 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9293 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127188
Similarity: 0.7077
Similarity to MM127188
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8288 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM209694
Similarity: 0.6974
Similarity to MM209694
| Tanimoto metric | 0.6974 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8217 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
