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DocumentationIdentifier: MM268511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268511 |
| SMILES |
CCC(O)C(C)NC(C)=O
|
| InChIKey |
OTDAUCSBBYTJHP-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133582
Similarity: 0.766
Similarity to MM133582
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275059
Similarity: 0.7188
Similarity to MM275059
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8364 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244984
Similarity: 0.7
Similarity to MM244984
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8235 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
