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DocumentationIdentifier: MM85035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85035 |
| SMILES |
C=CN(C)C(=O)CCC=O
|
| InChIKey |
VFBIRYGIMLTNQY-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173318
Similarity: 0.8727
Similarity to MM173318
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.932 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350898
Similarity: 0.7619
Similarity to MM350898
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8649 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM269222
Similarity: 0.7559
Similarity to MM269222
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.861 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
