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DocumentationIdentifier: MM44714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44714 |
| SMILES |
C#CCNC(C)(C=O)C=O
|
| InChIKey |
BPFMODMINUGDKD-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52257
Similarity: 0.7174
Similarity to MM52257
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8354 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47248
Similarity: 0.7143
Similarity to MM47248
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309495
Similarity: 0.66
Similarity to MM309495
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.7952 |
| Dice metric | 0.7952 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
