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DocumentationIdentifier: MM410475
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410475 |
| SMILES |
C=CN(C=C)C(=N)CNC
|
| InChIKey |
TYZKVMPVBHSPGN-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173336
Similarity: 0.8812
Similarity to MM173336
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89871
Similarity: 0.7063
Similarity to MM89871
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8279 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111942
Similarity: 0.703
Similarity to MM111942
| Tanimoto metric | 0.703 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8256 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
