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DocumentationIdentifier: MM161932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161932 |
| SMILES |
CCCCC(N)C(C)O
|
| InChIKey |
NZNMGQIZVLTFIQ-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300877
Similarity: 0.9036
Similarity to MM300877
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300875
Similarity: 0.9036
Similarity to MM300875
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361754
Similarity: 0.8621
Similarity to MM361754
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
