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DocumentationIdentifier: MM199802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199802 |
| SMILES |
CN=C(CO)NCCN
|
| InChIKey |
WLHZLCCEWBJUOW-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM342567
Similarity: 0.7414
Similarity to MM342567
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199803
Similarity: 0.7113
Similarity to MM199803
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8319 |
| Dice metric | 0.8313 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113054
Similarity: 0.6977
Similarity to MM113054
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+352 more
