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DocumentationIdentifier: MM88440
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88440 |
| SMILES |
C=CCNC(C)=NCCO
|
| InChIKey |
AKQYDVJBBLUEBN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360127
Similarity: 0.7327
Similarity to MM360127
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8457 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237902
Similarity: 0.6727
Similarity to MM237902
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.8043 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283739
Similarity: 0.6667
Similarity to MM283739
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
