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DocumentationIdentifier: MM339788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339788 |
| SMILES |
CC(C)CNC(CN)CO
|
| InChIKey |
IWASKDRFTGZSSJ-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM402224
Similarity: 0.7553
Similarity to MM402224
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8606 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402222
Similarity: 0.7172
Similarity to MM402222
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8353 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144067
Similarity: 0.7059
Similarity to MM144067
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
