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DocumentationIdentifier: MM372735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372735 |
| SMILES |
C=CC(C)N=CNCCN
|
| InChIKey |
BPTDTCKQWWDSTP-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM372897
Similarity: 0.8333
Similarity to MM372897
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9096 |
| Dice metric | 0.9091 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153550
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| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM321266
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| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8228 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
