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DocumentationIdentifier: MM348883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348883 |
| SMILES |
CNC(=N)C(N)C(N)CO
|
| InChIKey |
HRIGVSVEVJSTNV-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-2.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160119
Similarity: 0.7389
Similarity to MM160119
| Tanimoto metric | 0.7389 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8498 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160376
Similarity: 0.7325
Similarity to MM160376
| Tanimoto metric | 0.7325 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8456 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172374
Similarity: 0.6688
Similarity to MM172374
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8015 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+152 more
