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DocumentationIdentifier: MM149953
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149953 |
| SMILES |
C=C(C)OC(CN)CN
|
| InChIKey |
XMMNAMSIIWKDKC-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
-0.18
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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MM104317
Similarity: 0.8649
Similarity to MM104317
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328744
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| Tanimoto metric | 0.8222 |
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| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM66928
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| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+681 more
