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DocumentationIdentifier: MM349045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349045 |
| SMILES |
CCC(=N)N(C)CCOC
|
| InChIKey |
AUHHURAWXNCQOV-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172425
Similarity: 0.8246
Similarity to MM172425
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292846
Similarity: 0.7176
Similarity to MM292846
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8356 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63118
Similarity: 0.6786
Similarity to MM63118
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8089 |
| Dice metric | 0.8085 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+488 more
