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DocumentationIdentifier: MM89635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89635 |
| SMILES |
C=CCNC(=N)CNCC
|
| InChIKey |
JYIOSTHMQWZNOD-UHFFFAOYSA-N
|
| MW [Da] |
141.22
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
MM156288
Similarity: 0.9359
Similarity to MM156288
| Tanimoto metric | 0.9359 |
|---|---|
| Cosine metric | 0.9674 |
| Dice metric | 0.9669 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166644
Similarity: 0.7927
Similarity to MM166644
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8844 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156123
Similarity: 0.7692
Similarity to MM156123
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
