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DocumentationIdentifier: MM400522
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400522 |
| SMILES |
CCN(CC)C(CN)CO
|
| InChIKey |
YMRRBTPUOXEXDP-UHFFFAOYSA-N
|
| MW [Da] |
146.23
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
MM196852
Similarity: 0.9239
Similarity to MM196852
| Tanimoto metric | 0.9239 |
|---|---|
| Cosine metric | 0.9612 |
| Dice metric | 0.9605 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406535
Similarity: 0.787
Similarity to MM406535
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8808 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66468
Similarity: 0.7025
Similarity to MM66468
| Tanimoto metric | 0.7025 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8252 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
