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DocumentationIdentifier: MM435132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM435132 |
| SMILES |
CC(C#N)C1NC1CC#N
|
| InChIKey |
GSBSECDUIABWCT-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210693
Similarity: 0.9716
Similarity to MM210693
| Tanimoto metric | 0.9716 |
|---|---|
| Cosine metric | 0.9857 |
| Dice metric | 0.9856 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434718
Similarity: 0.8563
Similarity to MM434718
| Tanimoto metric | 0.8563 |
|---|---|
| Cosine metric | 0.9237 |
| Dice metric | 0.9226 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124392
Similarity: 0.8156
Similarity to MM124392
| Tanimoto metric | 0.8156 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
