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DocumentationIdentifier: MM135719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135719 |
| SMILES |
CC=CC(C)NC(C)C
|
| InChIKey |
RCMSYNLCNRIBBO-UHFFFAOYSA-N
|
| MW [Da] |
127.23
Automatically obtained from RDkit software. |
| LogP |
1.95
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 | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9285 |
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| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
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| AI: | 0
Total active interactions
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MM279411
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| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9154 |
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| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+621 more
