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DocumentationIdentifier: MM216538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216538 |
| SMILES |
CCC1NC1CCNC
|
| InChIKey |
UMIVIXYJRKFWFH-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.35
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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MM447118
Similarity: 0.9596
Similarity to MM447118
| Tanimoto metric | 0.9596 |
|---|---|
| Cosine metric | 0.9796 |
| Dice metric | 0.9794 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124709
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Similarity to MM124709
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195349
Similarity: 0.8384
Similarity to MM195349
| Tanimoto metric | 0.8384 |
|---|---|
| Cosine metric | 0.913 |
| Dice metric | 0.9121 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
