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DocumentationIdentifier: MM156288
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156288 |
| SMILES |
C=CCNC(=N)CNC
|
| InChIKey |
ITMAWNHSOUNKII-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89635
Similarity: 0.9359
Similarity to MM89635
| Tanimoto metric | 0.9359 |
|---|---|
| Cosine metric | 0.9674 |
| Dice metric | 0.9669 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113205
Similarity: 0.8082
Similarity to MM113205
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166644
Similarity: 0.7531
Similarity to MM166644
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8592 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
