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DocumentationIdentifier: MM392373
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392373 |
| SMILES |
CC(C)C(CN)CNC=O
|
| InChIKey |
AXDOXLOQTFTWLF-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198645
Similarity: 0.825
Similarity to MM198645
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310956
Similarity: 0.775
Similarity to MM310956
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93212
Similarity: 0.7674
Similarity to MM93212
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8684 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
