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DocumentationIdentifier: MM258092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258092 |
| SMILES |
CNC(=O)CNCC(C)N
|
| InChIKey |
ZBAFEWNEYMIMTN-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-1.33
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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| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM51950
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| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8121 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM364604
Similarity: 0.6818
Similarity to MM364604
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8108 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
