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DocumentationIdentifier: MM283355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283355 |
| SMILES |
CCC=C(C)CNCCC
|
| InChIKey |
HBVBZFTVPUOZKO-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.34
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 | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8193 |
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| Cosine metric | 0.9008 |
| Dice metric | 0.9007 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.89 |
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|---|---|---|---|---|---|
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Total active interactions
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MM167766
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| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+827 more
