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DocumentationIdentifier: MM132987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132987 |
| SMILES |
CC(C)CNCC(C)O
|
| InChIKey |
UGDKQUJYHXHKDT-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220865
Similarity: 0.875
Similarity to MM220865
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131476
Similarity: 0.8438
Similarity to MM131476
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9164 |
| Dice metric | 0.9153 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257573
Similarity: 0.7778
Similarity to MM257573
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
