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DocumentationIdentifier: MM115763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115763 |
| SMILES |
CC1(CNC=N)CN1
|
| InChIKey |
AULUTSYUPQUCAL-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM176305
Similarity: 0.8426
Similarity to MM176305
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9146 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM203000
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Similarity to MM203000
| Tanimoto metric | 0.8273 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9055 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429613
Similarity: 0.7222
Similarity to MM429613
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
