Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 |
MW: | 447.88 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Polyhalogenated compounds (only Cl, Br and I)
Filter9_metal
aryl bromide
high halogen content (>3)
Hetero_hetero
DRR-IMP-dff87f5e-4
0.654
JAY-UNK-11f5bdbd-1
0.561
DRR-IMP-dff87f5e-7
0.544
MAR-TRE-6a44bbf2-4
0.534
LON-WEI-8f408cad-2
0.534
AAR-POS-d2a4d1df-32
0.534
NIM-UNI-05f93fcc-1
0.534
SAD-SAT-bc31ec01-5
0.526
MAK-UNK-d4768348-1
0.517
AAR-POS-0daf6b7e-15
0.517
DRR-IMP-dff87f5e-3
0.500
AAR-POS-d2a4d1df-44
0.500
MAR-TRE-6a44bbf2-24
0.500
MAR-TRE-6a44bbf2-52
0.492
AAR-POS-d2a4d1df-22
0.492
MAT-POS-ee51dedd-2
0.492
LON-WEI-8f408cad-3
0.492
SAD-SAT-3a925b8b-9
0.492
MAK-UNK-7c9d1431-10
0.484
SAD-SAT-bc31ec01-4
0.484
DRR-IMP-dff87f5e-8
0.484
MAR-TRE-6a44bbf2-78
0.483
MAK-UNK-d4768348-2
0.483
MAK-UNK-7c9d1431-12
0.483
MAK-UNK-7c9d1431-13
0.483
SAD-SAT-3a925b8b-6
0.483
MAK-UNK-7c9d1431-9
0.483
MAR-TRE-6a44bbf2-21
0.483
LON-WEI-8f408cad-4
0.475
MAR-TRE-6a44bbf2-18
0.475
AAR-POS-d2a4d1df-23
0.475
BEN-DND-03406596-10
0.475
MAR-TRE-6a44bbf2-26
0.468
MAK-UNK-7c9d1431-8
0.468
MAR-TRE-6a44bbf2-68
0.467
KAY-MCD-d0fe5261-1
0.467
AAR-POS-d2a4d1df-27
0.467
MAR-TRE-6a44bbf2-58
0.467
MAR-LAB-efb042c5-5
0.467
MAK-UNK-d4768348-4
0.467
SAD-SAT-3a925b8b-2
0.467
PEI-IMP-ca0b2813-2
0.467
DRR-IMP-dff87f5e-1
0.467
TAT-ENA-80bfd3e5-43
0.462
MAR-TRE-6a44bbf2-65
0.462
MAK-UNK-7c9d1431-11
0.462
ABB-MCD-f8003a30-1
0.460
MAR-TRE-6a44bbf2-32
0.460
MAK-UNK-d4768348-8
0.459
SAD-SAT-3a925b8b-3
0.459
MAK-UNK-d4768348-5
0.459
RHE-UNK-eb059eb9-1
0.453
AAR-POS-0daf6b7e-3
0.453
AAR-POS-d2a4d1df-36
0.453
WAR-XCH-79d12f6e-6
0.453
MAR-TRE-6a44bbf2-13
0.453
MAK-UNK-d4768348-3
0.452
MAK-UNK-d4768348-7
0.452
DRR-IMP-dff87f5e-2
0.448
IND-SYN-6c8299e8-2
0.448
MAK-UNK-7c9d1431-3
0.448
KAT-UNK-b2a0d5b1-1
0.446
MAK-UNK-7c9d1431-22
0.446
MAK-UNK-7c9d1431-17
0.444
DRR-IMP-dff87f5e-5
0.444
MAR-TRE-6a44bbf2-8
0.444
AAR-POS-d2a4d1df-34
0.444
DRR-IMP-dff87f5e-6
0.444
DRR-IMP-dff87f5e-9
0.444
MAK-UNK-7c9d1431-6
0.444
PEI-IMP-ca0b2813-1
0.444
MAK-UNK-c74072e5-8
0.444
MAK-UNK-7c9d1431-19
0.439
SAD-SAT-3a925b8b-7
0.438
MAR-TRE-6a44bbf2-38
0.435
MAK-UNK-7c9d1431-1
0.435
BEN-DND-03406596-2
0.433
BAP-BUY-55f8bcae-1
0.433
DRR-IMP-db50bf6e-4
0.433
BEN-DND-76ad4ac9-12
0.433
PEI-IMP-ca0b2813-3
0.426
MAK-UNK-7c9d1431-4
0.426
TAT-ENA-80bfd3e5-25
0.426
MAK-UNK-7c9d1431-2
0.423
MAR-TRE-6a44bbf2-36
0.423
NIM-UNI-05f93fcc-3
0.423
MAK-UNK-7c9d1431-5
0.420
NIM-UNI-05f93fcc-11
0.420
MAR-TRE-6a44bbf2-31
0.420
MAR-TRE-6a44bbf2-45
0.420
MAR-TRE-6a44bbf2-49
0.420
MAK-UNK-7c9d1431-30
0.420
MAK-UNK-7c9d1431-7
0.420
AAR-POS-d2a4d1df-37
0.418
MAR-TRE-6a44bbf2-7
0.418
MAK-UNK-d4768348-9
0.418
NIM-UNI-05f93fcc-7
0.417
NIM-UNI-05f93fcc-2
0.414
MAR-TRE-6a44bbf2-28
0.413
MAK-UNK-7c9d1431-23
0.413