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DocumentationIdentifier: MM155257
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155257 |
| SMILES |
CC1(C)NC1CNC=N
|
| InChIKey |
DHADBHLYUIPXRN-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM372652
Similarity: 0.7824
Similarity to MM372652
| Tanimoto metric | 0.7824 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8779 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7733 |
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| Cosine metric | 0.8793 |
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| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124787
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| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
