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DocumentationIdentifier: MM98020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98020 |
| SMILES |
CNC(=N)CCN
|
| InChIKey |
LSXVWCKSOVWVMH-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113018
Similarity: 0.8627
Similarity to MM113018
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96403
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| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 86.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104548
Similarity: 0.7719
Similarity to MM104548
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+512 more
