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DocumentationIdentifier: MM237872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237872 |
| SMILES |
CC(=NC(C)C)NCCO
|
| InChIKey |
DMROYTVQSAIFLK-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360127
Similarity: 0.7475
Similarity to MM360127
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8567 |
| Dice metric | 0.8555 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223442
Similarity: 0.7273
Similarity to MM223442
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8421 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237871
Similarity: 0.6792
Similarity to MM237871
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.809 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
