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DocumentationIdentifier: MM394653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM394653 |
| SMILES |
C=C(F)C(=CC)CCNC
|
| InChIKey |
PVYBTDPKTHLCHC-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM180396
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| Tanimoto metric | 0.812 |
|---|---|
| Cosine metric | 0.9011 |
| Dice metric | 0.8963 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM96191
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| Tanimoto metric | 0.7293 |
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| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 129.18 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306276
Similarity: 0.6968
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| Tanimoto metric | 0.6968 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8213 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
