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DocumentationIdentifier: MM68679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68679 |
| SMILES |
CC(C)(CN)CCC(N)=O
|
| InChIKey |
XGXREFXHNFOOGY-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78815
Similarity: 0.7525
Similarity to MM78815
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8588 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340397
Similarity: 0.7416
Similarity to MM340397
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8516 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345967
Similarity: 0.7284
Similarity to MM345967
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+604 more
