Molecular Properties | |
SMILES: | C=CC(=O)N1Cc2ccc(C(F)(F)F)cc2C(c2ccccc2Cl)C1 |
MW: | 365.782 |
Fraction sp3: | 0.21 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 20.31 |
cLogP: | 5.0189 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
high halogen content (>3)
AAR-POS-d2a4d1df-11
RAV-REL-e0cd5b56-2
0.707
RAV-REL-e0cd5b56-3
0.692
SAD-SAT-1f400d17-9
0.337
RAI-NOV-a7d52b4a-3
0.300
SEA-TRI-078a8df3-1
0.289
DOU-UNK-b5326f8f-14
0.284
RAI-NOV-a7d52b4a-1
0.276
REN-UFA-aaaed2d6-1
0.276
MIH-UNI-e573136b-9
0.274
NIR-THE-c331be7a-4
0.274
RAI-NOV-a7d52b4a-2
0.273
THO-SYG-4e0386bb-1
0.271
AAR-POS-0daf6b7e-14
0.267
JAR-IMP-ed466bb3-4
0.262
RAI-NOV-a7d52b4a-4
0.262
NIR-THE-c331be7a-6
0.260
NIR-THE-c331be7a-1
0.260
GIA-UNK-7337c2f3-13
0.260
DAR-DIA-caba39e3-1
0.260
REN-UFA-aaaed2d6-4
0.257
MIH-UNI-e573136b-15
0.255
RAI-NOV-a7d52b4a-5
0.255
MAK-UNK-6ca90168-12
0.253
SAD-SAT-c989feaa-6
0.253
REN-UFA-aaaed2d6-2
0.253
DAR-DIA-caba39e3-7
0.252
DAR-DIA-caba39e3-8
0.252
MIH-UNI-e573136b-10
0.250
DAR-DIA-caba39e3-2
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JOH-UNI-e19b918c-5
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TAM-UNI-d1c3dd9f-10
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BEN-DND-03ad4429-3
0.250
MAK-UNK-6ca90168-13
0.250
MAK-UNK-10dfa458-5
0.250
JAR-IMP-ed466bb3-8
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AHN-SAT-02ef6d10-3
0.247
REN-UFA-aaaed2d6-3
0.245
GIA-UNK-7337c2f3-12
0.245
MAK-UNK-10dfa458-9
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MED-COV-4280ac29-14
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JAN-GHE-c863d918-1
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NIR-THE-c331be7a-2
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JAG-SYN-9c2cd0bd-1
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MAL-CSI-dcae516d-1
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SAD-SAT-1f400d17-1
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JAN-GHE-6413aaf8-10
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SAD-SAT-c989feaa-7
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DAR-DIA-caba39e3-5
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DAR-DIA-caba39e3-6
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SAD-SAT-b55127ae-5
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JOH-UNI-e19b918c-13
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NAU-LAT-28398581-5
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SAD-SAT-1f400d17-6
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AHN-SAT-02ef6d10-10
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BEN-VAN-77cef4f8-6
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PEI-IMP-3d837503-2
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JAR-IMP-ed466bb3-1
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NIR-THE-c331be7a-3
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MAK-UNK-702fb7d3-20
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JAR-IMP-ed466bb3-2
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JAR-IMP-ed466bb3-7
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MED-COV-4280ac29-32
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IND-SYN-6c8299e8-2
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DRV-UNK-dd7f8c68-2
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DAR-DIA-caba39e3-9
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DRV-UNK-64047f27-2
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SAD-SAT-2ceae68f-4
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SAD-SAT-b55127ae-1
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JAR-IMP-ed466bb3-3
0.231
RAI-NOV-2f6a9876-6
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MAT-POS-162a9720-2
0.231
NIL-NON-a189c016-1
0.231
MAT-POS-7174c657-3
0.230
TAM-UNI-d1c3dd9f-3
0.229
MIH-UNI-e573136b-12
0.229
NIR-THE-c331be7a-5
0.229
DAV-CRI-3fe943ba-1
0.229
JAN-GHE-bf40f168-5
0.229
IND-SYN-6c8299e8-3
0.229
JAR-IMP-ed466bb3-13
0.228
BEN-VAN-77cef4f8-11
0.228
DAV-CRI-3fe943ba-2
0.227
NIM-NMI-8bb27a2b-17
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PAU-WEI-b9b69149-2
0.226
BEN-VAN-77cef4f8-4
0.226
DAR-DIA-caba39e3-3
0.225
TAM-UNI-d1c3dd9f-8
0.225
DAR-DIA-caba39e3-13
0.225
MAT-POS-4223bc15-17
0.224
ANT-OPE-e67e7ba0-1
0.223
DAR-DIA-caba39e3-4
0.223
SAD-SAT-581007d4-8
0.222
JAG-SYN-9c2cd0bd-3
0.222
MAT-POS-4e253971-2
0.222
AMY-UNI-92ad344a-1
0.221
ANT-OPE-d972fbad-1
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MAK-UNK-702fb7d3-2
0.221
RAL-THA-6e4c80cf-4
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JOH-MSK-2d8052dc-1
0.220
THO-SYG-4e0386bb-2
0.220