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DocumentationIdentifier: MM258456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258456 |
| SMILES |
CCC(=N)NCCC(=N)N
|
| InChIKey |
HIMYZPKUOYCSTC-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166441
Similarity: 0.7711
Similarity to MM166441
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156136
Similarity: 0.7356
Similarity to MM156136
| Tanimoto metric | 0.7356 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8477 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258457
Similarity: 0.6961
Similarity to MM258457
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8208 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
