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DocumentationIdentifier: MM161927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161927 |
| SMILES |
CCCCC(N)C(C)C
|
| InChIKey |
WXTMKAIMGVITMT-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254470
Similarity: 0.931
Similarity to MM254470
| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300865
Similarity: 0.9
Similarity to MM300865
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300867
Similarity: 0.871
Similarity to MM300867
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
