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DocumentationIdentifier: MM84006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84006 |
| SMILES |
C=C(C)NC=NCCNC
|
| InChIKey |
YIZCOLITRUJHLJ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373308
Similarity: 0.8049
Similarity to MM373308
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8919 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214857
Similarity: 0.7714
Similarity to MM214857
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106060
Similarity: 0.7571
Similarity to MM106060
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8618 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
