Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)c(F)cc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 422.03 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-2c6614b6-6
0.771
PET-UNK-7bb24635-5
0.770
EDJ-MED-b7309adf-2
0.765
BEN-DND-f06bfa8e-5
0.765
PET-UNK-b38839dc-16
0.761
MAT-POS-86c60949-1
0.753
EDJ-MED-b7309adf-1
0.753
PET-UNK-2c6614b6-5
0.753
PET-UNK-09a29654-2
0.736
PET-UNK-b78139fa-6
0.726
BEN-DND-0ac71396-1
0.716
MAT-POS-66a736cf-1
0.714
LUO-POS-868e8996-13
0.714
MIC-UNK-91acba05-3
0.714
LUO-POS-868e8996-14
0.714
PET-UNK-09a29654-3
0.713
PET-UNK-2c6614b6-9
0.706
EDG-MED-f9979214-2
0.697
ALP-POS-6f6ae286-7
0.697
PET-UNK-b38839dc-17
0.692
BEN-DND-0ac71396-2
0.692
EDJ-MED-93390d0c-2
0.689
PET-UNK-7bb24635-6
0.681
PET-UNK-2c6614b6-8
0.670
EDJ-MED-93390d0c-1
0.670
PET-UNK-7bb24635-4
0.670
EDG-MED-f9979214-1
0.667
PET-UNK-2c6614b6-3
0.663
PET-UNK-2c6614b6-2
0.663
EDJ-MED-94fddcec-2
0.656
EDJ-MED-94fddcec-1
0.653
EDJ-MED-d9f3798e-3
0.642
PET-UNK-09a29654-1
0.629
PET-UNK-b38839dc-15
0.622
PET-UNK-b1ef24dc-16
0.622
PET-UNK-7f7e354d-3
0.615
PET-UNK-b1ef24dc-15
0.615
EDJ-MED-94fddcec-3
0.615
PET-UNK-b1ef24dc-13
0.604
PET-UNK-2c6614b6-1
0.596
PET-UNK-2c6614b6-4
0.591
PET-UNK-b1ef24dc-14
0.591
PET-UNK-b78139fa-7
0.559
BEN-DND-f06bfa8e-4
0.552
PET-UNK-b78139fa-5
0.537
MIC-UNK-8758c41d-1
0.516
PET-UNK-022eab87-1
0.511
PET-UNK-158bee2a-12
0.506
PET-UNK-158bee2a-11
0.505
EDJ-MED-dd2a8363-2
0.505
PET-UNK-158bee2a-10
0.500
ROB-UNI-afd54964-1
0.495
PET-UNK-b78139fa-9
0.495
EDJ-MED-f9b78f78-5
0.495
PET-UNK-4b4f2bb7-7
0.485
PET-UNK-b78139fa-3
0.480
PET-UNK-b78139fa-2
0.480
PET-UNK-b78139fa-15
0.480
PET-UNK-b78139fa-8
0.480
PET-UNK-158bee2a-9
0.479
ALP-POS-a577c8a2-1
0.475
MAT-POS-af1eef35-3
0.475
BEN-DND-d6f8d3c6-1
0.475
EDJ-MED-e18764cb-2
0.475
PET-UNK-064639eb-1
0.471
PET-UNK-064639eb-4
0.471
PET-UNK-ee8352fa-5
0.466
EDG-MED-5d232de5-1
0.465
EDG-MED-5d232de5-2
0.465
ALP-POS-ce760d3f-7
0.465
ALP-POS-696356e4-1
0.465
PET-UNK-b38839dc-4
0.457
EDJ-MED-f9b78f78-1
0.456
PET-UNK-03fd2068-1
0.455
ALP-POS-a577c8a2-2
0.451
ALF-EVA-5b152d2f-3
0.440
PET-UNK-b1ef24dc-24
0.440
MAK-UNK-8be7dca9-8
0.438
WIL-UCB-7ba4ac3a-1
0.437
EDJ-MED-ba7e64f2-1
0.436
BEN-DND-c852c98b-4
0.436
PET-UNK-b1ef24dc-23
0.436
MAR-UCB-6ab2ec87-5
0.434
ALP-POS-82da25a3-2
0.433
RAL-THA-8416115c-3
0.433
EDJ-MED-f9b78f78-2
0.431
EDJ-MED-d9f3798e-2
0.427
ALF-EVA-5b152d2f-2
0.427
DAR-DIA-0f2f46c9-10
0.427
ALF-EVA-5b152d2f-1
0.427
MAK-UNK-8be7dca9-9
0.427
MAT-POS-1ecf5680-1
0.426
MAT-POS-78e1d523-1
0.426
PET-UNK-b1ef24dc-21
0.426
VLA-UCB-1dbca3b4-15
0.426
MAT-POS-b3e365b9-1
0.426
MAT-POS-f7918075-1
0.426
MAT-POS-b3e365b9-2
0.426
ALF-EVA-5b152d2f-5
0.425
DAR-DIA-0f2f46c9-5
0.423