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DocumentationIdentifier: MM51606
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51606 |
| SMILES |
CCNC(C#N)C=CCO
|
| InChIKey |
NJQVZGUWGXAIQG-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272709
Similarity: 0.7009
Similarity to MM272709
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8259 |
| Dice metric | 0.8241 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388934
Similarity: 0.6949
Similarity to MM388934
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.82 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53623
Similarity: 0.6875
Similarity to MM53623
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8148 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
