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DocumentationIdentifier: MM407848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407848 |
| SMILES |
CCNC(=N)C(CN)OC
|
| InChIKey |
JILFDPUMZVIILV-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197226
Similarity: 0.8071
Similarity to MM197226
| Tanimoto metric | 0.8071 |
|---|---|
| Cosine metric | 0.8984 |
| Dice metric | 0.8933 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377406
Similarity: 0.7386
Similarity to MM377406
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8496 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350195
Similarity: 0.7152
Similarity to MM350195
| Tanimoto metric | 0.7152 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8339 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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