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DocumentationIdentifier: MM115700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115700 |
| SMILES |
CCCNC1(C)CC1
|
| InChIKey |
FHINVPOSCRFLIA-UHFFFAOYSA-N
|
| MW [Da] |
113.2
Automatically obtained from RDkit software. |
| LogP |
1.54
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 | 0.9028 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.9489 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM152448
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.68 |
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Total active interactions
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MM149180
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Similarity to MM149180
| Tanimoto metric | 0.9028 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.9489 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+474 more
