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DocumentationIdentifier: MM155180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155180 |
| SMILES |
CCNCC1NC1(C)C
|
| InChIKey |
KJLBAUSFAYBCPB-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 |
Similar entries
MM106845
Similarity: 0.8512
Similarity to MM106845
| Tanimoto metric | 0.8512 |
|---|---|
| Cosine metric | 0.9226 |
| Dice metric | 0.9196 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM249594
Similarity: 0.7707
Similarity to MM249594
| Tanimoto metric | 0.7707 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8705 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238735
Similarity: 0.7118
Similarity to MM238735
| Tanimoto metric | 0.7118 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8316 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
