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DocumentationIdentifier: MM125059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125059 |
| SMILES |
CCC1NC1C(C)N
|
| InChIKey |
LHABTVCAQIPRCD-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195991
Similarity: 0.8376
Similarity to MM195991
| Tanimoto metric | 0.8376 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210536
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Similarity to MM210536
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195992
Similarity: 0.8167
Similarity to MM195992
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
