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DocumentationIdentifier: MM372543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372543 |
| SMILES |
C=CNC=NCC(C)NC
|
| InChIKey |
PSVGZXCKFPRYJV-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153594
Similarity: 0.8272
Similarity to MM153594
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288686
Similarity: 0.7128
Similarity to MM288686
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8323 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91357
Similarity: 0.6939
Similarity to MM91357
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8193 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
