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DocumentationIdentifier: MM308001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308001 |
| SMILES |
CCC(N)(CO)CNC=N
|
| InChIKey |
BBMIMXBFWXJCQB-UHFFFAOYSA-N
|
| MW [Da] |
145.21
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235067
Similarity: 0.7452
Similarity to MM235067
| Tanimoto metric | 0.7452 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.854 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138226
Similarity: 0.6846
Similarity to MM138226
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8128 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM138224
Similarity: 0.6385
Similarity to MM138224
| Tanimoto metric | 0.6385 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7793 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
