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DocumentationIdentifier: MM144288
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144288 |
| SMILES |
CC(=N)NCC(O)CN
|
| InChIKey |
WYVGZGNGFZFGLZ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM316526
Similarity: 0.8077
Similarity to MM316526
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 147.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316524
Similarity: 0.7778
Similarity to MM316524
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320281
Similarity: 0.7706
Similarity to MM320281
| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8705 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
