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DocumentationIdentifier: MM447515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447515 |
| SMILES |
CN=CNCCCCCN
|
| InChIKey |
ANOTZOUPLRDUHV-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM446914
Similarity: 0.807
Similarity to MM446914
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447736
Similarity: 0.7571
Similarity to MM447736
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8618 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447889
Similarity: 0.7465
Similarity to MM447889
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8548 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
