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DocumentationIdentifier: MM171962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171962 |
| SMILES |
CC(NC=N)C(N)CN
|
| InChIKey |
KHRWXAAKQYPGDP-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM375946
Similarity: 0.8431
Similarity to MM375946
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108117
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| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.8422 |
| Dice metric | 0.8299 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM377102
Similarity: 0.6615
Similarity to MM377102
| Tanimoto metric | 0.6615 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.7963 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
