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DocumentationIdentifier: MM33397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33397 |
| SMILES |
NC(=O)CCCC=O
|
| InChIKey |
WZDNFKAFEYXBOQ-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Pentanamide
Similarity: 0.8636
Similarity to Pentanamide
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105615
Similarity: 0.8333
Similarity to MM105615
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342750
Similarity: 0.7308
Similarity to MM342750
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8444 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+344 more
