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DocumentationIdentifier: MM112576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112576 |
| SMILES |
CCNCC(N)CN
|
| InChIKey |
XNWMYTRXARHLJI-UHFFFAOYSA-N
|
| MW [Da] |
117.2
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165547
Similarity: 0.8824
Similarity to MM165547
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165548
Similarity: 0.8824
Similarity to MM165548
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144045
Similarity: 0.7895
Similarity to MM144045
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+544 more
