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DocumentationIdentifier: MM350438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350438 |
| SMILES |
C=CCNC(=N)C(N)CO
|
| InChIKey |
KQJDKIBAMJPCFN-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172950
Similarity: 0.8168
Similarity to MM172950
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350149
Similarity: 0.7329
Similarity to MM350149
| Tanimoto metric | 0.7329 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8458 |
| MW: | 147.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350147
Similarity: 0.7329
Similarity to MM350147
| Tanimoto metric | 0.7329 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8458 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
