Molecular Properties | |
SMILES: | Cn1c(C(=O)CCl)nc(Cc2cccc(Cl)c2)c1NC(=O)c1cccnc1 |
MW: | 402.07 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 76.88 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
Filter64_halo_ketone_sulfone
Ketone
DAR-DIA-bd041b9b-29
0.702
DAR-DIA-bd041b9b-18
0.611
DAR-DIA-bd041b9b-3
0.567
DAR-DIA-bd041b9b-20
0.565
DAR-DIA-bd041b9b-11
0.528
DAR-DIA-bd041b9b-28
0.412
DAR-DIA-bd041b9b-17
0.402
DAR-DIA-bd041b9b-26
0.393
DAR-DIA-bd041b9b-30
0.391
DAR-DIA-bd041b9b-21
0.390
DAR-DIA-bd041b9b-31
0.386
DAR-DIA-bd041b9b-27
0.385
DAR-DIA-bd041b9b-4
0.366
CHR-SOS-7098f804-12
0.345
BEN-DND-61647d40-20
0.344
EDG-MED-0da5ad92-2
0.337
MED-COV-4280ac29-3
0.337
DAR-DIA-bd041b9b-22
0.331
JAN-GHE-83b26c96-16
0.326
PET-UNK-e8c7a26f-2
0.323
ADA-UNI-f8e79267-11
0.320
DAR-DIA-bd041b9b-1
0.317
RYA-UNI-f4a878f6-1
0.315
DAR-DIA-bd041b9b-10
0.315
MAK-UNK-10dfa458-35
0.312
STE-KUL-2e0d2e88-3
0.312
EDJ-MED-49816e9b-5
0.312
DAR-DIA-bd041b9b-8
0.310
MAT-POS-bb423b95-5
0.309
PET-UNK-8df914d1-5
0.309
TRY-UNI-714a760b-6
0.309
MAR-TRE-4f781e27-2
0.307
DAR-DIA-bd041b9b-9
0.305
MAK-UNK-ec98eaf6-20
0.304
BEN-DND-1e24cf73-1
0.303
BAR-COM-ebf5acce-2
0.302
PET-UNK-8df914d1-4
0.301
BEN-DND-1e24cf73-2
0.301
ADA-UNI-f8e79267-10
0.301
MAT-POS-b5746674-69
0.300
JIN-POS-6dc588a4-6
0.300
MAR-TRE-04c86cea-65
0.299
EDJ-MED-49816e9b-3
0.298
ALP-POS-f13221e1-4
0.296
RUB-POS-1325a9ea-19
0.296
RYA-UNI-c3f66fb2-1
0.296
DAR-DIA-bd041b9b-14
0.295
JAN-GHE-5a013bed-8
0.293
CHR-SOS-7098f804-21
0.293
BEN-DND-1e24cf73-6
0.292
ADA-UNI-f8e79267-8
0.292
DAR-DIA-43a5904b-17
0.292
MAR-TRE-3e4e6814-83
0.291
DAR-DIA-bd041b9b-13
0.290
BEN-DND-1e24cf73-4
0.290
MAT-POS-90fd5f68-2
0.290
JOH-UNK-14e6adc5-3
0.289
DRA-CSI-7ec17797-5
0.289
JOR-UNI-2fc98d0b-7
0.289
WAR-XCH-eb7b662f-7
0.289
DAR-DIA-23aa0b97-14
0.289
MIC-UNK-5ce21166-1
0.289
JAN-GHE-83b26c96-19
0.289
JAN-GHE-83b26c96-15
0.289
EDG-MED-0da5ad92-1
0.289
VLA-UNK-411a133b-1
0.287
JAG-UCB-a3ef7265-15
0.287
MAK-UNK-2c1752f0-1
0.287
ALP-POS-95b75b4d-8
0.287
SAM-UNK-2684b532-13
0.287
PET-UNK-e274cad4-6
0.287
EDJ-MED-6e43a462-7
0.287
MAK-UNK-6ca90168-23
0.286
DAR-DIA-43a5904b-1
0.286
MIC-UNK-8686cf1d-9
0.286
PET-UNK-158bee2a-2
0.286
EDJ-MED-6e43a462-5
0.284
EDJ-MED-c8e7a002-16
0.284
EDG-MED-0da5ad92-14
0.284
ALP-POS-95b75b4d-6
0.284
MAR-TRE-e86a56b5-35
0.283
JIN-POS-6dc588a4-3
0.283
NIM-UNI-b87c0f72-1
0.282
NIM-UNI-b87c0f72-2
0.282
ADA-UNI-f8e79267-12
0.282
PET-UNK-7a31b064-5
0.282
EDJ-MED-b24713dc-3
0.282
DAR-DIA-43a5904b-15
0.281
MAT-POS-90fd5f68-20
0.280
EDJ-MED-b24713dc-2
0.280
JOH-UNI-61f30276-1
0.280
EDJ-MED-6e43a462-12
0.279
RUB-POS-1325a9ea-14
0.279
PET-UNK-e274cad4-1
0.279
DAR-DIA-43a5904b-16
0.279
ABI-SAT-4d06482b-2
0.278
DAR-DIA-43a5904b-14
0.278
MAR-TRE-b77b7921-33
0.278
MAT-POS-29385cc1-2
0.278
MIC-UNK-51049f1a-6
0.277