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DocumentationIdentifier: MM393124
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393124 |
| SMILES |
C=CCNC(CC)C(=N)N
|
| InChIKey |
WEOGCQSMUNEJGN-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM392938
Similarity: 0.7357
Similarity to MM392938
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8477 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305360
Similarity: 0.7039
Similarity to MM305360
| Tanimoto metric | 0.7039 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8263 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393215
Similarity: 0.68
Similarity to MM393215
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8095 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
