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DocumentationIdentifier: MM259467
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259467 |
| SMILES |
CC=C(C)N=CNC(C)C
|
| InChIKey |
GKGGFKNUVOTHRG-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.94
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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| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8639 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7228 |
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| Cosine metric | 0.8391 |
| Dice metric | 0.8391 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.73 |
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Total active interactions
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MM375449
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|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8343 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
