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DocumentationIdentifier: MM214708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214708 |
| SMILES |
CCNCC=CCCN
|
| InChIKey |
PJSXMEJPSIKLLO-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM451558
Similarity: 0.9216
Similarity to MM451558
| Tanimoto metric | 0.9216 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.9592 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455912
Similarity: 0.9216
Similarity to MM455912
| Tanimoto metric | 0.9216 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.9592 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125997
Similarity: 0.8511
Similarity to MM125997
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+551 more
