Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2cc(Cl)c(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1 |
MW: | 467.03 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-1b5395f9-4
1.000
EDJ-MED-1b5395f9-6
1.000
MAT-POS-64942dd0-2
0.816
PET-UNK-03fd2068-5
0.816
EDJ-MED-1b5395f9-1
0.747
EDJ-MED-1b5395f9-2
0.747
EDJ-MED-1b5395f9-3
0.747
PET-UNK-03fd2068-3
0.742
MAT-POS-64942dd0-1
0.649
MAT-POS-64942dd0-3
0.619
EDJ-MED-670ad2ee-9
0.612
EDJ-MED-841e0cf0-7
0.612
EDJ-MED-670ad2ee-10
0.612
EDJ-MED-841e0cf0-6
0.606
EDJ-MED-670ad2ee-8
0.606
EDJ-MED-670ad2ee-7
0.606
PET-UNK-f4e47ebd-13
0.606
PET-UNK-03fd2068-6
0.606
EDJ-MED-841e0cf0-5
0.596
EDJ-MED-670ad2ee-5
0.596
EDJ-MED-670ad2ee-6
0.596
BEN-DND-a02b439d-11
0.592
MAT-POS-81ae2990-3
0.590
PET-UNK-f4e47ebd-14
0.586
FRA-DIA-6238d354-2
0.576
PET-UNK-03fd2068-4
0.554
PET-UNK-f4e47ebd-15
0.552
MAT-POS-24589f88-2
0.545
MAT-POS-dd3ad2b5-4
0.545
MAT-POS-24589f88-3
0.545
MAT-POS-81ae2990-6
0.545
EDJ-MED-670ad2ee-11
0.545
EDJ-MED-670ad2ee-12
0.545
EDJ-MED-841e0cf0-8
0.545
MAT-POS-81ae2990-9
0.541
MAT-POS-b4d6b7fc-9
0.541
PET-UNK-f4e47ebd-16
0.538
PET-UNK-f4e47ebd-9
0.535
BEN-DND-34fc7f90-8
0.531
BEN-DND-a02b439d-15
0.531
EDJ-MED-009f762b-5
0.528
ALP-UNI-8d415491-6
0.525
MAT-POS-ec6d90b7-5
0.525
EDJ-MED-611d11e7-5
0.525
BEN-DND-34fc7f90-3
0.520
PET-UNK-162c14b2-2
0.519
PET-UNK-b38839dc-7
0.519
PET-UNK-f4e47ebd-10
0.515
PET-UNK-b38839dc-8
0.509
BEN-DND-a02b439d-2
0.505
BEN-DND-a02b439d-1
0.500
BEN-DND-34fc7f90-4
0.500
BEN-DND-a02b439d-3
0.500
PET-UNK-f4e47ebd-11
0.495
EDJ-MED-cf877e1d-1
0.495
PET-UNK-1b92fa34-4
0.495
BEN-DND-a02b439d-10
0.495
MAT-POS-24589f88-16
0.491
EDJ-MED-009f762b-1
0.491
EDJ-MED-923a35c2-4
0.491
MAT-POS-61f37a1a-13
0.487
EDJ-MED-009f762b-4
0.487
PET-UNK-f4e47ebd-12
0.486
EDJ-MED-611d11e7-6
0.480
MAT-POS-ec6d90b7-7
0.480
MAT-POS-96f51285-5
0.480
MAT-POS-61f37a1a-5
0.478
EDJ-MED-009f762b-2
0.478
EDJ-MED-009f762b-3
0.478
MAT-POS-24589f88-5
0.478
MAT-POS-e119ab4f-2
0.477
MAT-POS-c7726e07-3
0.477
MAT-POS-c7726e07-4
0.477
PET-UNK-1b92fa34-2
0.476
MAR-UCB-6ab2ec87-5
0.475
PET-UNK-03fd2068-10
0.473
EDJ-MED-841e0cf0-3
0.472
EDJ-MED-670ad2ee-3
0.472
EDJ-MED-923a35c2-5
0.472
EDJ-MED-d1555997-1
0.472
PET-UNK-b1ef24dc-27
0.467
EDG-MED-5d232de5-2
0.461
PET-UNK-b78139fa-7
0.461
ALP-POS-ce760d3f-7
0.461
EDG-MED-5d232de5-1
0.461
ALP-POS-696356e4-1
0.461
ALF-EVA-ced740bd-3
0.459
PET-UNK-bcc8fd08-5
0.455
PET-UNK-d61f3ea6-2
0.454
PET-UNK-b38839dc-6
0.453
EDJ-MED-d1555997-2
0.453
PET-UNK-b1ef24dc-25
0.453
MAT-POS-c88128cb-1
0.452
PET-UNK-2c6614b6-6
0.452
PET-UNK-7f7e354d-4
0.449
PET-UNK-9b23ef84-3
0.449
PET-UNK-b1ef24dc-28
0.449
MAT-POS-4223bc15-1
0.444
MAT-POS-4223bc15-6
0.444
PET-UNK-e274cad4-8
0.443