Molecular Properties | |
SMILES: | C[C@H](O[C@H](C)C(F)(F)F)c1cccc(Cl)c1 |
MW: | 252.05 |
Fraction sp3: | 0.45 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 9.23 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
AAR-POS-0daf6b7e-29
JOH-IMS-1436231f-5
0.422
JOH-IMS-1436231f-3
0.364
AAR-POS-0daf6b7e-10
0.345
SAM-UNK-2684b532-6
0.333
SAM-UNK-2684b532-7
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SAM-UNK-2684b532-5
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JOH-IMS-1436231f-1
0.297
TRY-UNI-714a760b-18
0.296
JAN-GHE-83b26c96-4
0.296
TRY-UNI-2eddb1ff-5
0.296
JAN-GHE-83b26c96-5
0.296
TRY-UNI-2eddb1ff-4
0.296
WIL-LEE-1f71e281-3
0.294
DAV-CRI-3edb475e-5
0.292
JOH-ILL-b8b12274-1
0.290
JAN-GHE-83b26c96-6
0.288
TRY-UNI-714a760b-15
0.288
JAN-GHE-83b26c96-2
0.284
BRU-CON-67e07230-1
0.280
MAR-TRE-8190bb11-59
0.279
DAV-CRI-3edb475e-4
0.279
MAK-UNK-f203cb68-2
0.278
AAR-RCN-78cf61f7-1
0.271
WIL-LEE-1f71e281-7
0.269
DAR-DIA-5a24bef0-14
0.259
DAR-DIA-5a24bef0-15
0.259
JAN-GHE-83b26c96-3
0.259
DAR-DIA-5a24bef0-16
0.259
MED-COV-4280ac29-6
0.258
WIL-LEE-1f71e281-4
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JOK-SYG-a0b0bf84-1
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EDG-MED-0da5ad92-5
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MED-COV-4280ac29-7
0.257
JAN-GHE-83b26c96-1
0.257
JAN-GHE-83b26c96-9
0.257
MAK-UNK-f203cb68-19
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MED-COV-4280ac29-36
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JAN-GHE-83b26c96-7
0.253
JAR-KUA-41bd5a3d-5
0.253
PAU-WEI-b9b69149-2
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MAK-UNK-f203cb68-22
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MAR-TRE-66ac689e-92
0.250
JAN-GHE-83b26c96-10
0.250
VLA-UNK-9a7dc93f-7
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MAK-UNK-ffc90da7-7
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MAT-POS-1e5f28a7-1
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JOH-UNI-3fc3434e-7
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JOH-UNI-ee5ed7c8-7
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MAK-UNK-f203cb68-4
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MAK-UNK-f203cb68-13
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MAK-UNK-f203cb68-21
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MAR-TRE-92684b97-16
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TRY-UNI-9f475305-8
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RIT-UNK-fa3975ff-1
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MIC-UNK-d36ab305-4
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MAK-UNK-f203cb68-12
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MAK-UNK-ec98eaf6-45
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ADA-UNI-f8e79267-10
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DAV-CRI-25b90884-1
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MAK-UNK-f203cb68-20
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GIA-UNK-7337c2f3-2
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DAR-DIA-3e9bbd81-12
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MAK-UNK-f203cb68-3
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PAU-WEI-b9b69149-3
0.232
DAV-CRI-25b90884-3
0.231
MAK-UNK-f203cb68-10
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MED-COV-4280ac29-18
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MAK-UNK-ec98eaf6-1
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MAK-UNK-ffc90da7-1
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MAK-UNK-c749d764-6
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MAR-TRE-fffca54f-1
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MAK-UNK-f203cb68-11
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DAV-CRI-25b90884-2
0.228
MAR-TRE-1c920f6f-88
0.227
MAK-UNK-10799360-36
0.227
JOH-UNI-ee5ed7c8-13
0.226
NAU-LAT-a5c7d7cb-6
0.226
EDJ-MED-cf4b0d25-4
0.226
JOH-UNI-3fc3434e-13
0.226
SAM-UNK-2684b532-1
0.225
ADA-UNI-f8e79267-11
0.225
JAN-GHE-83b26c96-8
0.225
PAU-WEI-b9b69149-1
0.225
SEA-TRI-2c7f3de8-1
0.225
EDJ-MED-cf4b0d25-5
0.224
SAM-UNK-2684b532-3
0.224
TRY-UNI-9f475305-3
0.224
ADA-UNI-f8e79267-7
0.224
JOH-UNI-0e1753c1-4
0.222
EDJ-MED-49816e9b-3
0.222
JOH-UNI-0e1753c1-1
0.222
SAD-SAT-29425be4-7
0.221
ALP-POS-6495d03e-3
0.221
JOH-UNI-3fc3434e-6
0.221
JOH-UNI-ee5ed7c8-6
0.221
DAN-LON-a5fc619e-4
0.221
JON-UNI-2a110085-7
0.220
MAR-TRE-92684b97-32
0.220
MIC-UNK-f2576da4-1
0.220
DAV-CRI-25b90884-4
0.220