Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2cc(F)c(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1 |
MW: | 451.06 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-03fd2068-5
1.000
EDJ-MED-1b5395f9-5
0.816
EDJ-MED-1b5395f9-4
0.816
EDJ-MED-1b5395f9-6
0.816
MAT-POS-64942dd0-1
0.800
MAT-POS-64942dd0-3
0.767
PET-UNK-f4e47ebd-13
0.750
PET-UNK-03fd2068-6
0.750
PET-UNK-03fd2068-3
0.744
PET-UNK-f4e47ebd-14
0.710
PET-UNK-f4e47ebd-15
0.684
PET-UNK-f4e47ebd-16
0.667
EDJ-MED-cf877e1d-1
0.620
EDJ-MED-670ad2ee-9
0.616
EDJ-MED-670ad2ee-10
0.616
EDJ-MED-841e0cf0-7
0.616
EDJ-MED-670ad2ee-7
0.610
EDJ-MED-670ad2ee-8
0.610
EDJ-MED-1b5395f9-1
0.610
EDJ-MED-1b5395f9-3
0.610
EDJ-MED-1b5395f9-2
0.610
EDJ-MED-841e0cf0-6
0.610
EDJ-MED-670ad2ee-5
0.600
EDJ-MED-670ad2ee-6
0.600
EDJ-MED-841e0cf0-5
0.600
MAT-POS-81ae2990-3
0.594
PET-UNK-1b92fa34-4
0.592
FRA-DIA-6238d354-2
0.580
PET-UNK-03fd2068-4
0.559
PET-UNK-9b23ef84-3
0.554
EDJ-MED-923a35c2-4
0.553
MAT-POS-24589f88-2
0.550
MAT-POS-24589f88-3
0.550
MAT-POS-dd3ad2b5-4
0.550
MAT-POS-81ae2990-6
0.550
MAT-POS-81ae2990-9
0.545
MAT-POS-b4d6b7fc-9
0.545
PET-UNK-f4e47ebd-9
0.539
EDJ-MED-009f762b-5
0.533
PET-UNK-03fd2068-10
0.533
MAT-POS-96f51285-5
0.530
MAT-POS-ec6d90b7-7
0.530
EDJ-MED-611d11e7-6
0.530
PET-UNK-162c14b2-2
0.524
PET-UNK-b38839dc-7
0.523
PET-UNK-b38839dc-8
0.514
PET-UNK-f4e47ebd-10
0.505
PET-UNK-f4e47ebd-11
0.500
EDJ-MED-009f762b-3
0.496
MAT-POS-61f37a1a-5
0.496
MAT-POS-24589f88-16
0.496
EDJ-MED-009f762b-1
0.496
MAR-UCB-6ab2ec87-5
0.495
MAT-POS-61f37a1a-13
0.491
EDJ-MED-009f762b-4
0.491
EDJ-MED-670ad2ee-3
0.491
EDJ-MED-923a35c2-5
0.491
PET-UNK-f4e47ebd-12
0.491
EDJ-MED-841e0cf0-3
0.491
EDJ-MED-670ad2ee-12
0.491
BEN-DND-a02b439d-11
0.491
EDJ-MED-841e0cf0-8
0.491
EDJ-MED-670ad2ee-11
0.491
PET-UNK-9b23ef84-7
0.487
PET-UNK-9b23ef84-10
0.487
PET-UNK-9b23ef84-15
0.487
MAT-POS-ec6d90b7-5
0.485
EDJ-MED-611d11e7-5
0.485
ALP-UNI-8d415491-6
0.485
EDJ-MED-009f762b-2
0.483
MAT-POS-24589f88-5
0.483
MAT-POS-e119ab4f-2
0.482
MAT-POS-c7726e07-3
0.482
MAT-POS-c7726e07-4
0.482
PET-UNK-1b92fa34-2
0.481
EDJ-MED-d1555997-1
0.477
EDJ-MED-ce467fd5-2
0.474
PET-UNK-bcc8fd08-5
0.473
PET-UNK-b1ef24dc-27
0.472
PET-UNK-7f7e354d-4
0.467
ALP-POS-ce760d3f-7
0.466
EDG-MED-5d232de5-1
0.466
ALP-POS-696356e4-1
0.466
PET-UNK-b78139fa-7
0.466
EDG-MED-5d232de5-2
0.466
ALF-EVA-ced740bd-3
0.465
EDJ-MED-d1555997-2
0.458
PET-UNK-b38839dc-6
0.458
PET-UNK-2c6614b6-6
0.457
PET-UNK-b1ef24dc-28
0.454
MAT-POS-96f51285-4
0.450
ROB-CAM-4c532489-1
0.450
EDJ-MED-611d11e7-3
0.450
MAT-POS-4223bc15-6
0.450
MAT-POS-4223bc15-1
0.450
PET-UNK-e274cad4-8
0.449
MAT-POS-5cd9ea36-17
0.446
MAT-POS-4223bc15-2
0.445
PET-UNK-d61f3ea6-2
0.445
PET-UNK-b1ef24dc-25
0.444