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DocumentationIdentifier: MM237903
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237903 |
| SMILES |
CC(=NC(C)C)NCC=O
|
| InChIKey |
AAHYDMRHEKLTDY-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158855
Similarity: 0.8152
Similarity to MM158855
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223442
Similarity: 0.7374
Similarity to MM223442
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8488 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360240
Similarity: 0.713
Similarity to MM360240
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8324 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
