Molecular Properties | |
SMILES: | C=C(C)C(=O)N1Cc2ccc(C(F)(F)F)cc2C(c2ccccc2Cl)C1 |
MW: | 379.809 |
Fraction sp3: | 0.25 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 20.31 |
cLogP: | 5.409 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
AAR-POS-d2a4d1df-11
RAV-REL-e0cd5b56-1
0.707
RAV-REL-e0cd5b56-3
0.500
REN-UFA-aaaed2d6-2
0.319
REN-UFA-aaaed2d6-3
0.312
DOU-UNK-b5326f8f-14
0.297
NIR-THE-c331be7a-4
0.287
MIH-UNI-e573136b-9
0.287
AAR-POS-0daf6b7e-14
0.281
NIR-THE-c331be7a-6
0.274
JAR-IMP-ed466bb3-4
0.274
THO-SYG-4e0386bb-1
0.271
SAD-SAT-1f400d17-9
0.270
REN-UFA-aaaed2d6-6
0.267
MIH-UNI-e573136b-15
0.267
REN-UFA-aaaed2d6-5
0.267
MIH-UNI-e573136b-10
0.263
DAR-DIA-caba39e3-5
0.261
DAR-DIA-caba39e3-6
0.261
DAR-DIA-caba39e3-1
0.260
JAR-IMP-ed466bb3-7
0.257
JAR-IMP-ed466bb3-1
0.257
DAR-DIA-caba39e3-7
0.252
DAR-DIA-caba39e3-8
0.252
DAR-DIA-caba39e3-2
0.250
TAM-UNI-d1c3dd9f-10
0.250
RAI-NOV-a7d52b4a-3
0.250
REN-UFA-aaaed2d6-1
0.250
DAR-DIA-caba39e3-3
0.248
JAR-IMP-ed466bb3-8
0.247
NIR-THE-c331be7a-1
0.247
JAR-IMP-ed466bb3-2
0.245
NIR-THE-c331be7a-3
0.244
DAR-DIA-caba39e3-4
0.244
DAR-DIA-caba39e3-11
0.244
DAR-DIA-caba39e3-9
0.243
RAI-NOV-2f6a9876-6
0.243
NIR-THE-c331be7a-2
0.242
MAK-UNK-702fb7d3-20
0.242
JOH-MSK-2d8052dc-1
0.241
JAR-IMP-ed466bb3-13
0.240
NAU-LAT-28398581-5
0.239
TAM-UNI-d1c3dd9f-11
0.237
PET-UNK-9b23ef84-3
0.237
TAM-UNI-d1c3dd9f-8
0.236
SAL-INS-1c7a5a55-1
0.236
RAI-NOV-a7d52b4a-2
0.235
DAR-DIA-caba39e3-10
0.235
GIA-UNK-7337c2f3-13
0.235
REN-UFA-aaaed2d6-4
0.234
JAR-IMP-ed466bb3-3
0.231
MAT-POS-162a9720-2
0.231
NIL-NON-a189c016-1
0.231
PET-UNK-9b23ef84-2
0.230
MAT-POS-dd3ad2b5-2
0.230
MAT-POS-7174c657-3
0.230
RAI-NOV-a7d52b4a-1
0.229
TAM-UNI-d1c3dd9f-3
0.229
MIH-UNI-e573136b-12
0.229
NIR-THE-c331be7a-5
0.229
DAV-CRI-3fe943ba-1
0.229
RAL-THA-6e4c80cf-2
0.229
MAT-POS-4223bc15-20
0.229
IND-SYN-6c8299e8-3
0.229
DAV-CRI-3fe943ba-2
0.227
DAR-DIA-caba39e3-13
0.225
MAT-POS-dd3ad2b5-5
0.224
MAT-POS-4223bc15-17
0.224
PET-UNK-d61f3ea6-3
0.221
UNK-CYC-68f84b31-4
0.221
RAL-THA-6e4c80cf-4
0.220
THO-SYG-4e0386bb-2
0.220
RAI-NOV-a7d52b4a-5
0.220
CLI-TLC-36f34aa2-1
0.220
MAT-POS-4223bc15-19
0.219
RAL-THA-6e4c80cf-1
0.219
GIA-UNK-7337c2f3-12
0.219
IND-SYN-6c8299e8-2
0.219
MEL-NAT-8c3652c8-1
0.218
JAR-IMP-ed466bb3-6
0.218
MAT-POS-be048f2c-4
0.217
JAN-LUN-04aedcc0-6
0.217
JAG-UCB-c61058a9-33
0.217
UNK-UNK-2ede4078-48
0.217
RAI-NOV-a7d52b4a-4
0.216
JON-UIO-066ce08b-5
0.216
EDJ-MED-ee742daa-4
0.216
MAT-POS-4223bc15-18
0.216
PAU-WEI-b9b69149-2
0.215
FAR-UNI-736b943a-9
0.215
UNK-CYC-68f84b31-67
0.215
DAV-SYG-f22c749d-4
0.214
HEI-REL-0c990a45-6
0.214
DAR-DIA-caba39e3-12
0.213
MED-COV-4280ac29-38
0.212
JAR-IMP-ed466bb3-12
0.212
EDJ-MED-12c4873b-3
0.212
MAT-POS-4223bc15-26
0.212
MIC-UNK-482af05e-2
0.212
AAR-POS-fca48359-6
0.212
MAK-UNK-ec98eaf6-42
0.212