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DocumentationIdentifier: MM440003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440003 |
| SMILES |
N=CNCC1NC1CCN
|
| InChIKey |
JIAHXMGZKITVAX-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216621
Similarity: 0.8978
Similarity to MM216621
| Tanimoto metric | 0.8978 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9462 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194629
Similarity: 0.781
Similarity to MM194629
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.877 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124787
Similarity: 0.6934
Similarity to MM124787
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
