Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 |
MW: | 369.97 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 2.07 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
SAD-SAT-bc31ec01-4
0.625
DRR-IMP-dff87f5e-8
0.625
AAR-POS-d2a4d1df-44
0.623
DRR-IMP-dff87f5e-3
0.623
JAY-UNK-11f5bdbd-1
0.600
MAK-UNK-7c9d1431-10
0.596
MAR-TRE-6a44bbf2-21
0.574
MAK-UNK-7c9d1431-9
0.574
ABB-MCD-f8003a30-1
0.569
MAR-TRE-6a44bbf2-32
0.569
AAR-POS-d2a4d1df-23
0.561
MAR-TRE-6a44bbf2-18
0.561
LON-WEI-8f408cad-4
0.561
BEN-DND-03406596-10
0.561
PEI-IMP-ca0b2813-2
0.554
MAR-TRE-6a44bbf2-58
0.554
DRR-IMP-dff87f5e-1
0.554
MAR-LAB-efb042c5-5
0.554
KAY-MCD-d0fe5261-1
0.554
MAR-TRE-6a44bbf2-68
0.554
MAT-POS-ee51dedd-2
0.554
AAR-POS-d2a4d1df-27
0.554
DRR-IMP-dff87f5e-7
0.554
SAD-SAT-3a925b8b-2
0.554
MAK-UNK-7c9d1431-8
0.552
MAR-TRE-6a44bbf2-26
0.552
MAK-UNK-7c9d1431-13
0.544
MAR-TRE-6a44bbf2-78
0.544
DRR-IMP-db50bf6e-5
0.526
SAD-SAT-3a925b8b-9
0.526
MAK-UNK-7c9d1431-6
0.525
PEI-IMP-ca0b2813-1
0.525
MAK-UNK-7c9d1431-17
0.525
DRR-IMP-dff87f5e-6
0.525
DRR-IMP-dff87f5e-9
0.525
MAK-UNK-c74072e5-8
0.525
MAK-UNK-7c9d1431-22
0.525
DRR-IMP-dff87f5e-4
0.518
TAT-ENA-80bfd3e5-43
0.516
MAK-UNK-7c9d1431-11
0.516
MAK-UNK-7c9d1431-19
0.516
MAR-TRE-6a44bbf2-65
0.516
PEI-IMP-ca0b2813-3
0.500
MAK-UNK-7c9d1431-4
0.500
TAT-ENA-80bfd3e5-25
0.500
IND-SYN-6c8299e8-2
0.500
AAR-POS-0daf6b7e-15
0.500
MAK-UNK-d4768348-4
0.500
MAK-UNK-d4768348-1
0.500
MAK-UNK-7c9d1431-3
0.500
DRR-IMP-dff87f5e-2
0.500
MAR-TRE-6a44bbf2-49
0.492
MAK-UNK-7c9d1431-5
0.492
MAR-TRE-6a44bbf2-31
0.492
MAK-UNK-7c9d1431-7
0.492
MAK-UNK-d4768348-5
0.492
MAK-UNK-d4768348-8
0.492
MAK-UNK-7c9d1431-12
0.492
SAD-SAT-3a925b8b-3
0.492
SAD-SAT-3a925b8b-6
0.492
MAR-TRE-6a44bbf2-38
0.485
MAK-UNK-7c9d1431-1
0.485
BAP-BUY-55f8bcae-1
0.484
AAR-POS-0daf6b7e-3
0.484
MAR-TRE-6a44bbf2-13
0.484
WAR-XCH-79d12f6e-6
0.484
RHE-UNK-eb059eb9-1
0.484
MAK-UNK-d4768348-7
0.483
KAT-UNK-b2a0d5b1-1
0.476
AAR-POS-d2a4d1df-22
0.475
LON-WEI-8f408cad-3
0.475
MAR-TRE-6a44bbf2-52
0.475
MAK-UNK-7c9d1431-2
0.471
MAR-TRE-6a44bbf2-36
0.471
MAR-TRE-6a44bbf2-4
0.467
LON-WEI-8f408cad-2
0.467
NIM-UNI-05f93fcc-1
0.467
MAK-UNK-d4768348-2
0.467
AAR-POS-d2a4d1df-32
0.467
AAR-POS-d2a4d1df-36
0.460
MAK-UNK-d4768348-3
0.459
PAU-UNI-8cdd41c7-1
0.456
BEN-DND-03406596-3
0.455
BEN-DND-76ad4ac9-14
0.455
DRR-IMP-dff87f5e-5
0.452
MAR-TRE-6a44bbf2-8
0.452
AAR-POS-d2a4d1df-34
0.452
MAR-TRE-6a44bbf2-45
0.448
MAK-UNK-7c9d1431-30
0.448
BEN-DND-03406596-8
0.446
MAK-UNK-d4768348-9
0.446
SAD-SAT-3a925b8b-7
0.444
ZAC-MCD-2bc172dc-1
0.444
MAK-UNK-c74072e5-9
0.440
SAD-SAT-581007d4-6
0.438
MAR-TRE-6a44bbf2-24
0.435
SAD-SAT-581007d4-3
0.424
AAR-POS-d2a4d1df-37
0.424
MAR-TRE-6a44bbf2-7
0.424
MED-COV-4280ac29-5
0.421