Identifier: MM163962
2D Structure
3D Structure
Source:
General | |
Identifier | MM163962 |
SMILES |
CC(=CC=CF)C(C)C
|
InChIKey |
HDZCSDKOPWYGDU-UHFFFAOYSA-N
|
MW [Da] |
128.19
Automatically obtained from RDkit software. |
LogP |
3.07
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 | 0.8293 |
---|---|
Cosine metric | 0.9106 |
Dice metric | 0.9067 |
MW: | 142.22 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 3.46 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM114850
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Tanimoto metric | 0.7353 |
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Cosine metric | 0.8575 |
Dice metric | 0.8475 |
MW: | 114.16 |
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PI: | 2
Total passive interactions
|
LogP: | 2.83 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM108819
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Similarity to MM108819
Tanimoto metric | 0.7353 |
---|---|
Cosine metric | 0.8575 |
Dice metric | 0.8475 |
MW: | 110.2 |
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PI: | 3
Total passive interactions
|
LogP: | 2.77 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+787 more