Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)C3CCS(=O)(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 464.03 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 110.27 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-93390d0c-2
0.753
EDJ-MED-d9f3798e-3
0.739
PET-UNK-2c6614b6-6
0.736
PET-UNK-09a29654-1
0.723
PET-UNK-7bb24635-4
0.714
PET-UNK-09a29654-2
0.688
MIC-UNK-91acba05-3
0.682
MAT-POS-66a736cf-1
0.682
LUO-POS-868e8996-14
0.682
LUO-POS-868e8996-13
0.682
EDG-MED-f9979214-1
0.674
EDJ-MED-b7309adf-2
0.670
BEN-DND-f06bfa8e-5
0.670
PET-UNK-2c6614b6-7
0.670
PET-UNK-2c6614b6-8
0.659
PET-UNK-2c6614b6-9
0.656
PET-UNK-2c6614b6-2
0.653
PET-UNK-7bb24635-6
0.653
PET-UNK-09a29654-3
0.650
PET-UNK-b38839dc-17
0.646
PET-UNK-7bb24635-5
0.646
BEN-DND-c852c98b-5
0.645
ERI-UCB-8d4e5055-4
0.645
EDJ-MED-94fddcec-1
0.643
PET-UNK-b38839dc-16
0.639
EDG-MED-f9979214-2
0.632
ALP-POS-6f6ae286-7
0.632
BEN-DND-0ac71396-1
0.632
PET-UNK-b38839dc-15
0.630
MAT-POS-86c60949-1
0.628
EDJ-MED-b7309adf-1
0.628
PET-UNK-2c6614b6-5
0.628
PET-UNK-2c6614b6-3
0.619
PET-UNK-b1ef24dc-15
0.606
BEN-DND-0ac71396-2
0.596
PET-UNK-b1ef24dc-16
0.596
EDJ-MED-94fddcec-2
0.594
PET-UNK-7f7e354d-3
0.589
PET-UNK-2c6614b6-1
0.588
ALP-POS-e6e0c683-4
0.586
PET-UNK-1e13ef09-2
0.586
PET-UNK-2c6614b6-4
0.583
PET-UNK-b1ef24dc-13
0.579
EDJ-MED-827e7cb4-1
0.576
EDJ-MED-94fddcec-3
0.573
PET-UNK-b1ef24dc-14
0.567
FRA-DIA-6238d354-2
0.560
RAL-THA-b9d6aec1-2
0.554
RAL-THA-b9d6aec1-3
0.550
EDJ-MED-611d11e7-3
0.545
MAT-POS-96f51285-4
0.545
RAL-THA-b9d6aec1-1
0.539
PET-UNK-b78139fa-7
0.536
EDJ-MED-611d11e7-2
0.535
ALP-UNI-8d415491-5
0.535
EDJ-MED-827e7cb4-2
0.533
EDJ-MED-827e7cb4-3
0.533
EDJ-MED-ce467fd5-1
0.533
MAT-POS-edabd372-1
0.515
TET-ENA-9b1de71a-1
0.515
BEN-DND-a02b439d-10
0.510
EDJ-MED-f9b78f78-1
0.510
BEN-DND-a02b439d-11
0.500
EDJ-MED-378a25ea-10
0.500
PET-UNK-158bee2a-11
0.500
ERI-UCB-8d4e5055-3
0.495
MAT-POS-7ddaf7de-2
0.495
ALF-EVA-5b152d2f-3
0.495
MIC-UNK-8758c41d-1
0.495
EDJ-MED-d9f3798e-2
0.491
PET-UNK-022eab87-1
0.490
MAT-POS-1a13cd81-1
0.486
EDJ-MED-dd2a8363-2
0.485
PET-UNK-158bee2a-12
0.484
MAT-POS-64942dd0-1
0.481
PET-UNK-158bee2a-10
0.479
PET-UNK-b78139fa-2
0.476
EDJ-MED-ba7e64f2-1
0.475
BEN-DND-c852c98b-4
0.475
PET-UNK-b78139fa-8
0.475
PET-UNK-b78139fa-6
0.475
EDJ-MED-827e7cb4-9
0.471
EDJ-MED-827e7cb4-4
0.467
ALF-EVA-5b152d2f-2
0.466
ALP-POS-a577c8a2-2
0.462
EDG-MED-5d232de5-1
0.461
EDG-MED-5d232de5-2
0.461
ALP-POS-ce760d3f-7
0.461
ALP-POS-696356e4-1
0.461
PET-UNK-b78139fa-9
0.460
PET-UNK-158bee2a-9
0.460
PET-UNK-ee8352fa-4
0.457
MAT-POS-f9802937-7
0.457
BEN-DND-f06bfa8e-4
0.457
BEN-DND-c852c98b-3
0.457
EDJ-MED-ce467fd5-2
0.456
PET-UNK-b566c0b0-2
0.455
MAT-POS-419aafdb-1
0.455
PET-UNK-064639eb-4
0.453
PET-UNK-064639eb-1
0.453