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DocumentationIdentifier: MM144940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144940 |
| SMILES |
N=C(CN)NCC(N)=O
|
| InChIKey |
XCTGIUCMALRSRQ-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103466
Similarity: 0.7952
Similarity to MM103466
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255021
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| Tanimoto metric | 0.664 |
|---|---|
| Cosine metric | 0.8149 |
| Dice metric | 0.7981 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM268898
Similarity: 0.6587
Similarity to MM268898
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.7943 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
