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DocumentationIdentifier: MM403583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403583 |
| SMILES |
C=COCCN(C=N)CC
|
| InChIKey |
KHZRGERGEWBPKJ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386823
Similarity: 0.7527
Similarity to MM386823
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8589 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403170
Similarity: 0.7071
Similarity to MM403170
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8284 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM366565
Similarity: 0.7041
Similarity to MM366565
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8263 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
