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DocumentationIdentifier: MM304067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304067 |
| SMILES |
N=CNC(=CCN)CCO
|
| InChIKey |
NIGFHPOEXVULNB-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM178952
Similarity: 0.7667
Similarity to MM178952
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82877
Similarity: 0.6531
Similarity to MM82877
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7901 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304069
Similarity: 0.6376
Similarity to MM304069
| Tanimoto metric | 0.6376 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7787 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
