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DocumentationIdentifier: MM76742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76742 |
| SMILES |
NCC(N)CCCF
|
| InChIKey |
PIBXGUGFGKJQSB-UHFFFAOYSA-N
|
| MW [Da] |
120.17
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143999
Similarity: 0.7692
Similarity to MM143999
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90648
Similarity: 0.7246
Similarity to MM90648
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 134.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94916
Similarity: 0.72
Similarity to MM94916
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 105.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+635 more
