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DocumentationIdentifier: MM350149
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350149 |
| SMILES |
N=C(NCCO)C(N)CO
|
| InChIKey |
QNIGXVYHRKDFRI-UHFFFAOYSA-N
|
| MW [Da] |
147.18
Automatically obtained from RDkit software. |
| LogP |
-2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172950
Similarity: 0.877
Similarity to MM172950
| Tanimoto metric | 0.877 |
|---|---|
| Cosine metric | 0.9365 |
| Dice metric | 0.9345 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162405
Similarity: 0.7951
Similarity to MM162405
| Tanimoto metric | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350147
Similarity: 0.781
Similarity to MM350147
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.877 |
| Dice metric | 0.877 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
