Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM73048
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73048 |
| SMILES |
CC(C)C(O)CCNC=O
|
| InChIKey |
KUQCQULRCPBRJP-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48467
Similarity: 0.7931
Similarity to MM48467
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81302
Similarity: 0.7931
Similarity to MM81302
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300933
Similarity: 0.697
Similarity to MM300933
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8214 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
