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DocumentationIdentifier: MM105433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105433 |
| SMILES |
CC(C)(N)CN1CC1
|
| InChIKey |
JXQYNQZZTICLKD-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
0.04
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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MM99549
Similarity: 0.7237
Similarity to MM99549
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8397 |
| MW: | 100.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.717 |
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| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM346186
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Similarity to MM346186
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8172 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
