Molecular Properties | |
SMILES: | CS(=O)(=O)c1cccc(CNc2ccc(Cl)cc2CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 479.11 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.16 |
cLogP: | 5.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-06e5f114-2
MIC-UNK-37660950-2
0.775
MIC-UNK-e7433122-1
0.660
MIC-UNK-df9dcda8-1
0.644
MIC-UNK-e8d6fb58-3
0.627
MIC-UNK-e8d6fb58-4
0.627
MIC-UNK-df9dcda8-4
0.615
MIC-UNK-37660950-4
0.602
MIC-UNK-df9dcda8-3
0.600
MIC-UNK-06e5f114-2
0.588
MIC-UNK-37660950-3
0.585
RAL-THA-2d450e86-27
0.556
MIC-UNK-06e5f114-1
0.554
ALP-POS-6479a3a9-2
0.546
MIC-UNK-df9dcda8-2
0.541
ADA-UCB-6c2cb422-1
0.539
RAL-THA-2d450e86-24
0.538
PET-UNK-dd44aeb6-1
0.538
RAL-THA-2d450e86-25
0.538
PET-UNK-dd44aeb6-2
0.538
ALP-POS-df536be7-6
0.535
BEN-DND-d1eb1f41-4
0.526
MAT-POS-3b92565d-1
0.526
RAL-THA-2d450e86-29
0.526
MAT-POS-bbbbc21a-1
0.526
RAL-THA-1d44ff04-10
0.521
BEN-DND-d1eb1f41-6
0.521
RAL-THA-1d44ff04-11
0.520
ALP-POS-d7944b10-7
0.515
RAL-THA-2d450e86-28
0.510
PET-UNK-dd44aeb6-3
0.510
RAL-THA-2d450e86-2
0.506
RAL-THA-1d44ff04-9
0.505
MAT-POS-fce787c2-2
0.500
ALP-POS-df536be7-5
0.500
RAL-THA-2d450e86-15
0.500
RAL-THA-2d450e86-30
0.500
ALP-POS-d7944b10-13
0.495
ALP-POS-d7944b10-6
0.495
ALP-POS-d7944b10-15
0.491
ALP-POS-d7944b10-2
0.490
ALP-POS-d7944b10-1
0.490
ALP-POS-6479a3a9-3
0.490
RAL-THA-2d450e86-22
0.490
PET-UNK-8c422e11-1
0.485
RAL-THA-2d450e86-11
0.484
RAL-THA-2d450e86-6
0.484
RAL-THA-2d450e86-14
0.484
MAT-POS-afd4d4fd-3
0.484
RAL-THA-2d450e86-13
0.484
ALP-POS-d7944b10-17
0.481
ALP-POS-d7944b10-12
0.481
PET-UNK-bb7ffe78-1
0.479
RAL-THA-2d450e86-3
0.478
ALP-POS-d7944b10-18
0.477
RAL-THA-2d450e86-1
0.477
ALP-POS-d7944b10-16
0.476
RAL-THA-1d44ff04-6
0.475
MAT-POS-afd4d4fd-1
0.474
RAL-THA-2d450e86-20
0.474
MIC-UNK-06e5f114-4
0.473
RAL-THA-2d450e86-10
0.473
MAT-POS-23a8a11a-1
0.473
ALP-POS-d7944b10-5
0.473
RAL-THA-2d450e86-36
0.473
RAL-THA-1d44ff04-3
0.470
ALP-POS-3b848b35-1
0.469
MAT-POS-3b92565d-2
0.469
RAL-THA-2d450e86-18
0.469
ALP-POS-d7944b10-4
0.469
RAL-THA-2d450e86-9
0.469
RAL-THA-2d450e86-8
0.469
PET-UNK-c9c1e0d8-1
0.468
RAL-THA-2d450e86-34
0.468
VLA-UNK-b9c208fe-2
0.468
RAL-THA-2d450e86-16
0.467
PET-UNK-8c422e11-4
0.466
PET-UNK-bb7ffe78-3
0.465
MIC-UNK-16ccb665-3
0.465
MAT-POS-fce787c2-1
0.465
ALP-POS-f13221e1-2
0.464
VLA-UNK-9a7dc93f-1
0.464
ALP-POS-d7944b10-14
0.464
RAL-THA-2d450e86-26
0.463
MAT-POS-281d2ee9-1
0.461
ALP-POS-f13221e1-3
0.458
RAL-THA-2d450e86-19
0.458
NAU-LAT-2fed8305-9
0.457
RAL-THA-2d450e86-33
0.457
MIC-UNK-06e5f114-3
0.457
RAL-THA-2d450e86-38
0.457
RAL-THA-2d450e86-37
0.457
MAK-UNK-919546f0-4
0.456
RAL-THA-1d44ff04-5
0.455
ALP-POS-6479a3a9-1
0.455
ALP-POS-d7944b10-3
0.455
RAL-THA-1d44ff04-4
0.455
ALP-POS-d7944b10-10
0.455
PET-UNK-3c72d439-1
0.454
MAK-UNK-c749d764-11
0.454
RAL-THA-2d450e86-12
0.454