Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccncc23)C1 |
MW: | 416.07 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 92.26 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-10
0.747
PET-UNK-03fd2068-3
0.730
MAT-POS-dd3ad2b5-4
0.727
MAT-POS-24589f88-2
0.727
MAT-POS-24589f88-3
0.727
PET-UNK-f4e47ebd-13
0.717
FRA-DIA-6238d354-2
0.703
PET-UNK-f4e47ebd-12
0.681
PET-UNK-03fd2068-4
0.660
PET-UNK-f4e47ebd-11
0.639
PET-UNK-b38839dc-8
0.639
PET-UNK-7f7e354d-4
0.638
PET-UNK-b38839dc-7
0.633
PET-UNK-b1ef24dc-27
0.628
PET-UNK-b38839dc-6
0.628
PET-UNK-b1ef24dc-28
0.621
PET-UNK-e274cad4-8
0.617
PET-UNK-b1ef24dc-25
0.611
EDJ-MED-d1555997-2
0.611
PET-UNK-b1ef24dc-26
0.604
PET-UNK-e274cad4-3
0.604
EDJ-MED-670ad2ee-6
0.602
EDJ-MED-670ad2ee-10
0.602
EDJ-MED-670ad2ee-9
0.602
EDJ-MED-841e0cf0-7
0.602
EDJ-MED-841e0cf0-5
0.602
EDJ-MED-670ad2ee-5
0.602
MAT-POS-4223bc15-6
0.598
MAT-POS-4223bc15-1
0.598
EDJ-MED-d1555997-1
0.598
ROB-CAM-4c532489-1
0.598
MAT-POS-4223bc15-3
0.598
EDJ-MED-841e0cf0-6
0.596
EDJ-MED-670ad2ee-7
0.596
BEN-DND-32596b04-7
0.596
EDJ-MED-670ad2ee-8
0.596
PET-UNK-d61f3ea6-2
0.592
MAT-POS-4223bc15-2
0.592
PET-UNK-1e13ef09-6
0.589
MAT-POS-81ae2990-3
0.581
EDJ-MED-1981ceba-2
0.580
MAT-POS-5cd9ea36-20
0.578
EDJ-MED-4fff0a85-2
0.577
MAT-POS-5cd9ea36-10
0.577
MAT-POS-dd1fff26-1
0.577
MAT-POS-dd1fff26-2
0.577
MAT-POS-5cd9ea36-17
0.574
BEN-DND-f06bfa8e-9
0.571
BRU-THA-98e973b9-1
0.570
MAT-POS-4223bc15-13
0.570
BRU-THA-d60fe444-1
0.570
MAT-POS-4223bc15-29
0.569
PET-UNK-d61f3ea6-1
0.569
MAT-POS-5cd9ea36-4
0.569
BEN-DND-32596b04-8
0.567
EDJ-MED-7f6e5b75-1
0.563
PET-UNK-af70882d-3
0.563
MAT-POS-5cd9ea36-19
0.563
PET-UNK-af70882d-4
0.563
EDJ-MED-76744c27-5
0.563
ANN-CHE-e1757302-2
0.562
MAT-POS-4223bc15-30
0.562
ALP-POS-e6e0c683-3
0.561
MAT-POS-4223bc15-5
0.559
MAT-POS-4223bc15-15
0.559
MAT-POS-5cd9ea36-2
0.559
MAT-POS-4223bc15-7
0.559
MAT-POS-5cd9ea36-16
0.558
PET-UNK-d61f3ea6-3
0.558
BEN-DND-34fc7f90-3
0.557
XIA-UNK-50bd045a-1
0.557
ALF-EVA-07677224-1
0.557
PET-UNK-f4e47ebd-25
0.554
EDJ-MED-76744c27-3
0.553
MAT-POS-5cd9ea36-24
0.553
EDJ-MED-1981ceba-1
0.552
EDJ-MED-1981ceba-3
0.552
EDJ-MED-1981ceba-5
0.552
PET-UNK-de87a406-1
0.552
BEN-DND-32596b04-2
0.552
MAT-POS-4223bc15-31
0.551
MAT-POS-5cd9ea36-18
0.551
ALF-EVA-07677224-5
0.551
BEN-DND-f06bfa8e-8
0.550
MAT-POS-61f37a1a-2
0.548
MAT-POS-4223bc15-9
0.548
MAT-POS-5cd9ea36-3
0.548
ANN-CHE-e1757302-1
0.547
MAT-POS-4223bc15-10
0.547
BEN-DND-32596b04-5
0.547
ALF-EVA-0e90125c-4
0.547
MAT-POS-5cd9ea36-9
0.547
JOH-SUS-07b743f6-5
0.547
MAT-POS-4223bc15-4
0.547
MAT-POS-4223bc15-11
0.547
ALF-EVA-07677224-9
0.546
RAL-THA-ee48ba5f-5
0.545
PET-UNK-615ad708-5
0.543
EDJ-MED-1981ceba-4
0.543
ALF-EVA-07677224-3
0.543