Molecular Properties | |
SMILES: | CNS(=O)(=O)c1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1 |
MW: | 389.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
ALP-POS-3b848b35-2
RAL-THA-1d44ff04-10
0.750
MAT-POS-fce787c2-2
0.694
RAL-THA-2d450e86-15
0.662
PET-UNK-bb7ffe78-1
0.654
RAL-THA-2d450e86-14
0.641
RAL-THA-1d44ff04-9
0.639
RAL-THA-1d44ff04-4
0.637
MAT-POS-3b92565d-2
0.637
RAL-THA-2d450e86-18
0.637
ALP-POS-3b848b35-1
0.637
RAL-THA-1d44ff04-5
0.634
PET-UNK-bb7ffe78-3
0.630
PET-UNK-8c422e11-2
0.619
MAT-POS-281d2ee9-1
0.619
RAL-THA-1d44ff04-3
0.614
PET-UNK-8c422e11-1
0.614
ADA-UCB-6c2cb422-1
0.610
RAL-THA-2d450e86-17
0.610
MIC-UNK-16ccb665-3
0.610
MAT-POS-cc05818f-1
0.610
RAL-THA-2d450e86-30
0.605
RAL-THA-1d44ff04-13
0.602
RAL-THA-1d44ff04-6
0.600
VLA-UNK-9a7dc93f-1
0.593
PET-UNK-1e7f2e90-1
0.588
MIC-UNK-16ccb665-2
0.588
MIC-UNK-16ccb665-1
0.588
PET-UNK-8c422e11-3
0.588
DAR-DIA-0587064e-2
0.586
PET-UNK-8c422e11-4
0.586
DAR-DIA-0587064e-4
0.586
VLA-UNK-b9c208fe-2
0.582
MIC-UNK-08fa0751-2
0.581
PET-UNK-bb7ffe78-2
0.581
LON-WEI-9739a092-9
0.576
RAL-THA-6b94ceba-14
0.573
DAR-DIA-0587064e-5
0.573
DAR-DIA-0587064e-3
0.573
RAL-THA-2d450e86-2
0.571
NAU-LAT-0543f7f2-9
0.571
LON-WEI-9739a092-7
0.571
LON-WEI-9739a092-1
0.568
PET-UNK-c5865d42-1
0.568
MIC-UNK-644c43c7-4
0.568
RAL-THA-1d44ff04-7
0.568
PET-UNK-b87f07d0-2
0.567
PET-UNK-372a2f82-1
0.567
PET-UNK-b87f07d0-1
0.567
DAR-DIA-0587064e-7
0.567
RAL-THA-2d450e86-16
0.564
MAT-POS-9ff17035-3
0.562
MAT-POS-281d2ee9-2
0.562
MIC-UNK-644c43c7-3
0.562
RAL-THA-1d44ff04-8
0.562
PET-UNK-cf04cb02-1
0.560
RAL-THA-2d450e86-3
0.558
MAT-POS-281d2ee9-3
0.556
EDJ-MED-50011917-1
0.556
LON-WEI-9739a092-8
0.553
MAT-POS-23a8a11a-1
0.550
RAL-THA-2d450e86-27
0.549
EDJ-MED-7320d5d2-1
0.548
MAT-POS-3b92565d-3
0.548
ALP-POS-3b848b35-2
0.548
DAR-DIA-0587064e-6
0.548
DAR-DIA-0587064e-1
0.543
MIC-UNK-644c43c7-1
0.543
PET-UNK-b87f07d0-3
0.543
RAL-THA-2d450e86-8
0.542
RAL-THA-2d450e86-9
0.542
RAL-THA-2d450e86-6
0.542
RAL-THA-2d450e86-1
0.539
MIC-UNK-644c43c7-2
0.538
DAR-DIA-0587064e-8
0.537
RAL-THA-1d44ff04-1
0.537
RAL-THA-1d44ff04-2
0.537
MAT-POS-3b92565d-1
0.535
RAL-THA-2d450e86-29
0.535
MAT-POS-bbbbc21a-1
0.535
BEN-DND-d1eb1f41-4
0.535
MIC-UNK-df9dcda8-1
0.534
PET-UNK-c5865d42-2
0.532
LON-WEI-9739a092-4
0.531
MAT-POS-9ff17035-1
0.531
NAU-LAT-2fed8305-9
0.531
LON-WEI-9739a092-3
0.531
RAL-THA-2d450e86-24
0.530
ALP-POS-f13221e1-3
0.530
PET-UNK-dd44aeb6-1
0.530
PET-UNK-dd44aeb6-2
0.530
RAL-THA-2d450e86-25
0.530
LON-WEI-9739a092-5
0.529
ALP-POS-df536be7-6
0.527
MAT-POS-9ff17035-2
0.526
LON-WEI-9739a092-2
0.526
RAL-THA-2d450e86-35
0.525
RAL-THA-2d450e86-13
0.524
PET-UNK-c9c1e0d8-1
0.524
PET-UNK-3c72d439-1
0.524
MIC-UNK-df9dcda8-3
0.523