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DocumentationIdentifier: MM136062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136062 |
| SMILES |
C=C(C)NC(C)=NCC
|
| InChIKey |
YISACFDYGWAHNF-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.55
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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MM223503
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| Tanimoto metric | 0.8349 |
|---|---|
| Cosine metric | 0.9137 |
| Dice metric | 0.91 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104737
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| Tanimoto metric | 0.8022 |
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| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM266099
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Similarity to MM266099
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+532 more
