Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 |
MW: | 338.03 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.04 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
BEN-DND-03406596-6
0.828
BEN-DND-76ad4ac9-10
0.828
AAR-POS-d2a4d1df-34
0.590
DRR-IMP-dff87f5e-5
0.590
MAR-TRE-6a44bbf2-8
0.590
BEN-DND-03406596-10
0.548
MAR-TRE-6a44bbf2-18
0.548
LON-WEI-8f408cad-4
0.548
AAR-POS-d2a4d1df-23
0.548
KAY-MCD-d0fe5261-1
0.541
DRR-IMP-dff87f5e-1
0.541
MAR-TRE-6a44bbf2-58
0.541
MAR-TRE-6a44bbf2-32
0.531
MAK-UNK-7c9d1431-10
0.531
ABB-MCD-f8003a30-1
0.531
AAR-POS-d2a4d1df-36
0.523
AAR-POS-d2a4d1df-32
0.508
MAR-TRE-6a44bbf2-4
0.508
LON-WEI-8f408cad-2
0.508
MAK-UNK-7c9d1431-12
0.508
DRR-IMP-dff87f5e-8
0.508
WAR-XCH-79d12f6e-6
0.500
AAR-POS-0daf6b7e-3
0.500
DRR-IMP-dff87f5e-3
0.500
AAR-POS-d2a4d1df-44
0.500
MAR-TRE-6a44bbf2-13
0.500
RHE-UNK-eb059eb9-1
0.500
BEN-DND-03406596-3
0.493
BEN-DND-76ad4ac9-14
0.493
BEN-DND-03406596-9
0.493
BEN-DND-76ad4ac9-11
0.493
MAT-POS-ee51dedd-2
0.492
BEN-DND-03406596-8
0.485
SAD-SAT-bc31ec01-5
0.476
IND-SYN-6c8299e8-2
0.471
MAR-TRE-6a44bbf2-45
0.465
MAK-UNK-7c9d1431-30
0.465
TAT-ENA-80bfd3e5-43
0.464
MAR-TRE-6a44bbf2-7
0.464
AAR-POS-d2a4d1df-37
0.464
MAK-UNK-7c9d1431-11
0.464
MAR-TRE-6a44bbf2-65
0.464
JAY-UNK-11f5bdbd-1
0.462
MAR-TRE-6a44bbf2-21
0.460
DRR-IMP-dff87f5e-4
0.460
MAK-UNK-7c9d1431-9
0.460
BEN-DND-03406596-2
0.457
DRR-IMP-db50bf6e-4
0.457
BEN-DND-76ad4ac9-12
0.457
MAK-UNK-7c9d1431-8
0.448
MAR-TRE-6a44bbf2-26
0.448
DRR-IMP-dff87f5e-6
0.448
PEI-IMP-ca0b2813-2
0.446
AAR-POS-d2a4d1df-22
0.446
MAR-TRE-6a44bbf2-52
0.446
AAR-POS-d2a4d1df-27
0.446
LON-WEI-8f408cad-3
0.446
AAR-POS-0daf6b7e-15
0.446
MAR-LAB-efb042c5-5
0.446
DRR-IMP-db50bf6e-5
0.446
DRR-IMP-dff87f5e-7
0.446
SAD-SAT-3a925b8b-2
0.446
MAR-TRE-6a44bbf2-68
0.446
SAD-SAT-bc31ec01-10
0.443
SAD-SAT-9a6c5cf3-10
0.442
SAD-SAT-bc31ec01-4
0.441
SAD-SAT-3a925b8b-6
0.439
MAK-UNK-7c9d1431-13
0.439
NIM-UNI-05f93fcc-1
0.439
MAR-TRE-6a44bbf2-78
0.439
KAI-MCD-cb49037b-1
0.433
PEI-IMP-ca0b2813-3
0.431
TAT-ENA-80bfd3e5-25
0.431
MAK-UNK-7c9d1431-4
0.431
PEI-IMP-ca0b2813-1
0.426
MAK-UNK-7c9d1431-6
0.426
MAK-UNK-7c9d1431-17
0.426
MAK-UNK-c74072e5-8
0.426
DRR-IMP-dff87f5e-9
0.426
NAU-LAT-f723e322-5
0.425
MAK-UNK-d4768348-4
0.424
MAK-UNK-d4768348-1
0.424
SAD-SAT-3a925b8b-9
0.424
MAK-UNK-7c9d1431-19
0.423
MAK-UNK-c74072e5-9
0.420
MAK-UNK-d4768348-5
0.418
MAR-TRE-6a44bbf2-28
0.418
MAK-UNK-7c9d1431-23
0.418
MAK-UNK-d4768348-2
0.418
MAK-UNK-d4768348-8
0.418
SAD-SAT-3a925b8b-3
0.418
DRR-IMP-38dce17f-2
0.412
DAN-MCD-50ec7d1f-1
0.412
MAK-UNK-d4768348-3
0.412
KAT-UNK-48001bce-1
0.412
KAT-MCD-525c981a-1
0.412
MAK-UNK-d4768348-7
0.412
MAK-UNK-7c9d1431-3
0.411
DRR-IMP-dff87f5e-2
0.411
PEI-IMP-ca0b2813-4
0.410