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DocumentationIdentifier: MM244984
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244984 |
| SMILES |
CCC(=O)NC(C)C(C)O
|
| InChIKey |
SCTDHRHNGVIECF-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: 0.8244
Similarity to MM133582
| Tanimoto metric | 0.8244 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.9038 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79918
Similarity: 0.7589
Similarity to MM79918
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8629 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268511
Similarity: 0.7
Similarity to MM268511
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8235 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
