Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(Cl)ccc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 420.01 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 4.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-b7309adf-2
1.000
MAT-POS-86c60949-1
0.800
EDJ-MED-b7309adf-1
0.800
PET-UNK-2c6614b6-5
0.800
ALP-POS-6f6ae286-7
0.780
EDG-MED-f9979214-2
0.780
BEN-DND-0ac71396-1
0.780
EDJ-MED-93390d0c-2
0.771
PET-UNK-2c6614b6-7
0.765
EDG-MED-f9979214-1
0.765
LUO-POS-868e8996-13
0.759
MIC-UNK-91acba05-3
0.759
MAT-POS-66a736cf-1
0.759
LUO-POS-868e8996-14
0.759
BEN-DND-0ac71396-2
0.753
PET-UNK-2c6614b6-9
0.750
EDJ-MED-94fddcec-1
0.727
PET-UNK-2c6614b6-6
0.711
PET-UNK-2c6614b6-8
0.711
PET-UNK-2c6614b6-3
0.701
PET-UNK-b38839dc-17
0.693
PET-UNK-7bb24635-5
0.693
PET-UNK-b38839dc-16
0.685
PET-UNK-7bb24635-6
0.682
PET-UNK-7bb24635-4
0.670
EDJ-MED-93390d0c-1
0.670
PET-UNK-09a29654-2
0.663
PET-UNK-2c6614b6-2
0.663
EDJ-MED-d9f3798e-3
0.659
PET-UNK-b38839dc-15
0.659
PET-UNK-b1ef24dc-16
0.659
PET-UNK-b1ef24dc-15
0.651
PET-UNK-7f7e354d-3
0.651
PET-UNK-09a29654-3
0.642
PET-UNK-b1ef24dc-13
0.640
EDJ-MED-94fddcec-3
0.632
EDJ-MED-f9b78f78-5
0.631
PET-UNK-09a29654-1
0.628
PET-UNK-2c6614b6-4
0.625
PET-UNK-b1ef24dc-14
0.625
EDJ-MED-94fddcec-2
0.618
PET-UNK-2c6614b6-1
0.611
BEN-DND-f06bfa8e-4
0.582
PET-UNK-b78139fa-5
0.567
MIC-UNK-8758c41d-1
0.544
PET-UNK-022eab87-1
0.539
PET-UNK-b78139fa-6
0.538
PET-UNK-158bee2a-12
0.536
PET-UNK-158bee2a-11
0.535
EDJ-MED-dd2a8363-2
0.533
PET-UNK-158bee2a-10
0.529
PET-UNK-b78139fa-9
0.522
BEN-DND-f06bfa8e-6
0.522
EDJ-MED-41558c53-9
0.521
PET-UNK-158bee2a-9
0.505
PET-UNK-b78139fa-8
0.505
PET-UNK-b78139fa-7
0.505
PET-UNK-b78139fa-3
0.505
PET-UNK-c671f938-6
0.500
ALP-POS-a577c8a2-1
0.500
PET-UNK-c671f938-2
0.500
BEN-DND-d6f8d3c6-1
0.500
EDJ-MED-e18764cb-2
0.500
MAT-POS-af1eef35-3
0.500
EDJ-MED-f9b78f78-1
0.495
LUO-POS-74179f4f-1
0.490
EDJ-MED-0186a59b-6
0.490
LUO-POS-edefcc0e-1
0.490
EDJ-MED-41558c53-7
0.485
TET-ENA-382364b7-1
0.485
EDJ-MED-41558c53-11
0.485
PET-UNK-03fd2068-1
0.479
MAK-UNK-8be7dca9-9
0.479
MAT-POS-1ecf5680-1
0.475
MAT-POS-1ecf5680-2
0.475
EDJ-MED-41558c53-13
0.475
ALF-EVA-5b152d2f-5
0.475
PET-UNK-b78139fa-2
0.475
ALP-POS-a577c8a2-2
0.474
EDG-MED-e300b289-1
0.471
EDJ-MED-41558c53-1
0.470
ALP-POS-82da25a3-1
0.469
EDJ-MED-f9b78f78-2
0.466
MAT-POS-7ddaf7de-2
0.465
MAK-UNK-8be7dca9-5
0.465
PET-UNK-064639eb-4
0.465
PET-UNK-064639eb-1
0.465
PET-UNK-6314f867-1
0.465
ERI-UCB-8d4e5055-3
0.465
PET-UNK-b1ef24dc-24
0.463
MAT-POS-b3e365b9-2
0.463
VLA-UCB-1dbca3b4-15
0.463
MAT-POS-b3e365b9-1
0.463
MAT-POS-f7918075-1
0.463
MAT-POS-78e1d523-1
0.463
EDG-MED-e300b289-2
0.462
EDJ-MED-7889e8da-3
0.461
EDJ-MED-0186a59b-2
0.461
MAT-POS-7ddaf7de-1
0.459
JAG-UCB-571deb56-3
0.459