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DocumentationIdentifier: MM356520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356520 |
| SMILES |
CC=CNC(=N)CCCN
|
| InChIKey |
OIGSEHQWKXFMFU-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156843
Similarity: 0.8925
Similarity to MM156843
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280060
Similarity: 0.8317
Similarity to MM280060
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9081 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237201
Similarity: 0.7685
Similarity to MM237201
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8691 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+543 more
