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DocumentationIdentifier: MM165545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165545 |
| SMILES |
CCC(N)CNCCN
|
| InChIKey |
SACRTWCBLNAFLV-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM362953
Similarity: 0.8689
Similarity to MM362953
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9298 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91592
Similarity: 0.8596
Similarity to MM91592
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 116.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165544
Similarity: 0.8361
Similarity to MM165544
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.9107 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+720 more
