Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCN(C(=O)CCl)CC3)cc2c1 |
MW: | 398.872 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.58 |
cLogP: | 1.0626 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-1
AAR-POS-0daf6b7e-16
0.355
ASH-SAT-43770c7d-10
0.346
SAD-SAT-3a925b8b-5
0.342
DRR-IMP-db50bf6e-1
0.342
AAR-POS-d2a4d1df-25
0.342
AHN-SAT-de2502ba-8
0.342
AAR-POS-d2a4d1df-29
0.342
MAR-TRE-6a44bbf2-61
0.342
BAP-BUY-55f8bcae-1
0.341
SAD-SAT-581007d4-6
0.337
NAU-LAT-c9bfe74c-1
0.333
MAK-UNK-987948f6-2
0.333
MAK-UNK-6ca90168-15
0.329
MAK-UNK-987948f6-3
0.329
DRR-IMP-db50bf6e-3
0.329
MIH-UNI-e573136b-15
0.326
SEL-UNI-cd366922-2
0.326
DRR-IMP-db50bf6e-2
0.325
ABB-MCD-f8003a30-1
0.325
MAR-TRE-6a44bbf2-32
0.325
MAK-UNK-6ca90168-20
0.325
TAM-UNI-d1c3dd9f-5
0.323
NIR-THE-0d6461ce-5
0.323
TAM-UNI-d1c3dd9f-6
0.323
SWA-SYN-6423ea73-2
0.321
SWA-SYN-d2e6fa14-2
0.321
SAD-SAT-1b030f84-5
0.321
SAD-SAT-3a925b8b-1
0.321
JOH-UNI-27ac80fd-25
0.321
AHN-SAT-de2502ba-7
0.316
MAK-UNK-7c9d1431-17
0.313
GIA-UNK-a79af1bc-1
0.313
MAR-TRE-6a44bbf2-26
0.313
MAK-UNK-7c9d1431-8
0.313
NAU-LAT-c9bfe74c-2
0.312
SAD-SAT-3a925b8b-2
0.309
KAY-MCD-d0fe5261-1
0.309
SAD-SAT-581007d4-5
0.309
AAR-POS-d2a4d1df-22
0.309
LON-WEI-8f408cad-3
0.309
DRR-IMP-dff87f5e-1
0.309
MAR-TRE-6a44bbf2-52
0.309
MAR-TRE-6a44bbf2-58
0.309
AAR-POS-d2a4d1df-27
0.309
MAR-TRE-6a44bbf2-68
0.309
MAR-LAB-efb042c5-5
0.309
AAR-POS-0daf6b7e-15
0.309
SAD-SAT-3a925b8b-4
0.308
SEL-UNI-cd366922-7
0.308
MAK-UNK-7c9d1431-3
0.307
DRR-IMP-dff87f5e-2
0.307
SAD-SAT-1b030f84-9
0.306
RHE-UNK-eb059eb9-1
0.306
WAR-XCH-79d12f6e-6
0.306
AAR-POS-0daf6b7e-3
0.306
MAK-UNK-6ca90168-1
0.306
MAR-TRE-6a44bbf2-13
0.306
AAR-POS-d2a4d1df-36
0.306
MAR-TRE-6a44bbf2-78
0.305
SAD-SAT-89668ff1-8
0.305
MAK-UNK-7c9d1431-13
0.305
MAR-TRE-6a44bbf2-28
0.305
MAK-UNK-7c9d1431-23
0.305
MAK-UNK-d4768348-5
0.305
JIA-UNI-93b03cae-1
0.305
JAY-UNK-11f5bdbd-1
0.305
AAR-POS-d2a4d1df-24
0.305
NIM-UNI-05f93fcc-1
0.305
MAK-UNK-d4768348-8
0.305
SEL-UNI-cd366922-9
0.304
NIM-UNI-05f93fcc-7
0.304
TAM-UNI-d1c3dd9f-22
0.303
NIM-UNI-05f93fcc-4
0.303
KAT-UNK-b2a0d5b1-1
0.302
NIR-THE-0d6461ce-1
0.302
VIK-SYN-bf9c9ac8-2
0.301
VIK-SYN-bf9c9ac8-1
0.301
YOI-UNK-15f562e8-4
0.301
KAT-UNK-48001bce-1
0.301
LON-WEI-8f408cad-4
0.301
KAT-MCD-525c981a-1
0.301
MAR-TRE-6a44bbf2-18
0.301
BEN-DND-03406596-10
0.301
MAK-UNK-d4768348-7
0.301
AAR-POS-d2a4d1df-23
0.301
MAK-UNK-7c9d1431-9
0.300
DRR-IMP-dff87f5e-4
0.300
MAR-TRE-6a44bbf2-21
0.300
MAK-UNK-c74072e5-6
0.299
MAK-UNK-7c9d1431-11
0.299
MAK-UNK-7c9d1431-19
0.299
MAR-TRE-6a44bbf2-65
0.299
TAT-ENA-80bfd3e5-43
0.299
AAR-POS-0daf6b7e-21
0.299
NIM-UNI-310206f0-25
0.298
MAK-UNK-7c9d1431-27
0.298
DRR-IMP-dff87f5e-9
0.298
MAR-TRE-6a44bbf2-12
0.298
AAR-POS-d2a4d1df-44
0.296
SAD-SAT-bc31ec01-5
0.296