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DocumentationIdentifier: MM244726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244726 |
| SMILES |
CCC(O)CC(C)N(C)C
|
| InChIKey |
VBOISOTZRVADMY-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141572
Similarity: 0.8
Similarity to MM141572
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133523
Similarity: 0.7905
Similarity to MM133523
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250522
Similarity: 0.6577
Similarity to MM250522
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.8015 |
| Dice metric | 0.7935 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
