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DocumentationIdentifier: MM442761
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442761 |
| SMILES |
NCCC(N)C1NC1CN
|
| InChIKey |
KNNUPPJYTWXFAP-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-2.04
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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MM196313
Similarity: 0.9065
Similarity to MM196313
| Tanimoto metric | 0.9065 |
|---|---|
| Cosine metric | 0.9521 |
| Dice metric | 0.9509 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210539
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Similarity to MM210539
| Tanimoto metric | 0.9065 |
|---|---|
| Cosine metric | 0.9521 |
| Dice metric | 0.9509 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM124300
Similarity: 0.7338
Similarity to MM124300
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
