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DocumentationIdentifier: MM216861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216861 |
| SMILES |
C#CC1CN1CCCN
|
| InChIKey |
QSPVGMQSKQJCQS-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127900
Similarity: 0.8468
Similarity to MM127900
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.9171 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216896
Similarity: 0.819
Similarity to MM216896
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.9005 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460334
Similarity: 0.7551
Similarity to MM460334
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+275 more
