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DocumentationIdentifier: MM116073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116073 |
| SMILES |
CCC(C=O)NC=O
|
| InChIKey |
NYPGFAFZFQFQKY-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51277
Similarity: 0.7561
Similarity to MM51277
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179746
Similarity: 0.747
Similarity to MM179746
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34468
Similarity: 0.7143
Similarity to MM34468
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8333 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
