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DocumentationIdentifier: MM144860
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144860 |
| SMILES |
CC(=O)NCC(=O)CO
|
| InChIKey |
KHOFXFFHJCLLOP-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM318770
Similarity: 0.8058
Similarity to MM318770
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318772
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Similarity to MM318772
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8557 |
| MW: | 149.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113160
Similarity: 0.747
Similarity to MM113160
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 117.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
