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DocumentationIdentifier: MM104571
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104571 |
| SMILES |
C=C(CN)NC(C)=N
|
| InChIKey |
JDOQEQDDNBBMFR-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142584
Similarity: 0.8022
Similarity to MM142584
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142583
Similarity: 0.7157
Similarity to MM142583
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104580
Similarity: 0.6977
Similarity to MM104580
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8219 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+561 more
