Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@@H](C(=O)Nc2cncc3ccc(F)cc23)C1 |
MW: | 462.09 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.61 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-7
1.000
EDJ-MED-670ad2ee-8
1.000
PET-UNK-03fd2068-3
0.816
EDJ-MED-841e0cf0-7
0.789
EDJ-MED-670ad2ee-9
0.789
EDJ-MED-670ad2ee-10
0.789
EDJ-MED-841e0cf0-5
0.769
EDJ-MED-670ad2ee-5
0.769
EDJ-MED-670ad2ee-6
0.769
MAT-POS-4223bc15-2
0.758
PET-UNK-b38839dc-10
0.722
MAT-POS-81ae2990-3
0.717
EDJ-MED-009f762b-5
0.701
MAT-POS-81ae2990-6
0.696
MAT-POS-b4d6b7fc-9
0.693
MAT-POS-81ae2990-9
0.693
PET-UNK-b38839dc-11
0.687
PET-UNK-b1ef24dc-31
0.660
PET-UNK-162c14b2-2
0.660
MAT-POS-5cd9ea36-19
0.650
MAT-POS-5cd9ea36-20
0.650
MAT-POS-5cd9ea36-16
0.644
PET-UNK-7f7e354d-5
0.643
PET-UNK-b38839dc-9
0.643
FRA-DIA-6238d354-2
0.639
PET-UNK-b1ef24dc-32
0.636
PET-UNK-b1ef24dc-29
0.626
MAT-POS-5cd9ea36-23
0.625
EDJ-MED-ede277f6-1
0.620
PET-UNK-b1ef24dc-30
0.620
MAT-POS-5cd9ea36-18
0.619
EDJ-MED-009f762b-1
0.619
MAT-POS-24589f88-16
0.619
PET-UNK-03fd2068-4
0.616
EDJ-MED-009f762b-4
0.613
MAT-POS-61f37a1a-13
0.613
EDJ-MED-ee742daa-4
0.612
MAT-POS-64942dd0-2
0.610
PET-UNK-03fd2068-5
0.610
MAT-POS-24589f88-2
0.608
MAT-POS-24589f88-3
0.608
MAT-POS-dd3ad2b5-4
0.608
MAT-POS-5cd9ea36-21
0.607
EDJ-MED-e18764cb-3
0.607
MAT-POS-51135489-1
0.607
MAT-POS-af1eef35-2
0.607
BEN-DND-32596b04-4
0.607
EDJ-MED-1b5395f9-5
0.606
EDJ-MED-1b5395f9-4
0.606
EDJ-MED-1b5395f9-6
0.606
MAT-POS-61f37a1a-5
0.602
MAT-POS-5cd9ea36-22
0.602
EDJ-MED-009f762b-2
0.602
EDJ-MED-009f762b-3
0.602
MAT-POS-24589f88-5
0.602
PET-UNK-ff046148-4
0.600
PET-UNK-f4e47ebd-9
0.596
PET-UNK-b38839dc-7
0.592
MAT-POS-4223bc15-1
0.590
MAT-POS-4223bc15-6
0.590
PET-UNK-af70882d-3
0.587
PET-UNK-d61f3ea6-2
0.584
BRU-THA-98e973b9-1
0.578
BRU-THA-d60fe444-1
0.578
MAT-POS-4223bc15-3
0.574
MAT-POS-c88128cb-1
0.574
BEN-DND-32596b04-7
0.573
EDJ-MED-1981ceba-2
0.573
PET-UNK-19e211a9-10
0.571
EDJ-MED-76744c27-5
0.571
MAT-POS-78ab8081-6
0.571
ALF-EVA-0e90125c-4
0.570
MAT-POS-5cd9ea36-17
0.567
EDJ-MED-cf877e1d-1
0.567
PET-UNK-1b92fa34-2
0.566
MAT-POS-4223bc15-13
0.563
MAT-POS-5cd9ea36-4
0.562
MAT-POS-4223bc15-29
0.562
PET-UNK-d61f3ea6-1
0.562
MAT-POS-78ab8081-5
0.561
BEN-DND-32596b04-8
0.561
EDJ-MED-1981ceba-3
0.561
BEN-DND-32596b04-2
0.561
PET-UNK-de87a406-1
0.561
EDJ-MED-1981ceba-5
0.561
ALF-EVA-07677224-2
0.561
PET-UNK-f4e47ebd-10
0.560
BEN-DND-f06bfa8e-3
0.560
ALP-POS-6f6ae286-6
0.560
PET-UNK-f4e47ebd-12
0.558
MAT-POS-5c19d660-2
0.558
PET-UNK-af70882d-4
0.557
EDJ-MED-7f6e5b75-1
0.557
EDJ-MED-378a25ea-8
0.557
BEN-DND-32596b04-5
0.556
MAT-POS-5cd9ea36-11
0.556
MAT-POS-4223bc15-11
0.556
BEN-DND-32596b04-6
0.555
EDJ-MED-378a25ea-10
0.554
MAT-POS-5cd9ea36-2
0.552