Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)cc(Cl)c12)C1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 438.0 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 4.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-2c6614b6-5
EDJ-MED-94fddcec-3
0.762
PET-UNK-2c6614b6-6
0.682
PET-UNK-2c6614b6-7
0.656
EDJ-MED-b7309adf-1
0.648
PET-UNK-2c6614b6-5
0.648
EDJ-MED-f9b78f78-6
0.648
MAT-POS-86c60949-1
0.648
MAT-POS-66a736cf-1
0.629
LUO-POS-868e8996-13
0.629
LUO-POS-868e8996-14
0.629
MIC-UNK-91acba05-3
0.629
BEN-DND-f06bfa8e-5
0.618
EDJ-MED-b7309adf-2
0.618
PET-UNK-7bb24635-4
0.611
PET-UNK-2c6614b6-9
0.604
PET-UNK-2c6614b6-4
0.602
PET-UNK-7bb24635-5
0.598
PET-UNK-b1ef24dc-13
0.598
EDJ-MED-93390d0c-1
0.594
PET-UNK-b38839dc-16
0.592
PET-UNK-2c6614b6-8
0.591
PET-UNK-b1ef24dc-14
0.585
BEN-DND-0ac71396-1
0.583
PET-UNK-b38839dc-17
0.582
PET-UNK-09a29654-1
0.574
PET-UNK-09a29654-2
0.574
PET-UNK-2c6614b6-1
0.573
EDJ-MED-9537a89a-3
0.573
PET-UNK-09a29654-3
0.573
PET-UNK-2c6614b6-2
0.571
PET-UNK-2c6614b6-3
0.571
PET-UNK-7bb24635-6
0.571
EDJ-MED-d9f3798e-3
0.570
EDG-MED-f9979214-2
0.567
ALP-POS-6f6ae286-7
0.567
BEN-DND-0ac71396-2
0.566
PET-UNK-b1ef24dc-16
0.564
EDJ-MED-93390d0c-2
0.561
EDG-MED-f9979214-1
0.560
PET-UNK-b1ef24dc-15
0.558
PET-UNK-7f7e354d-3
0.558
EDJ-MED-9537a89a-2
0.557
EDJ-MED-94fddcec-1
0.549
PET-UNK-b38839dc-15
0.547
EDJ-MED-9537a89a-1
0.536
EDJ-MED-dd2a8363-2
0.515
EDJ-MED-75baa495-3
0.514
PET-UNK-158bee2a-11
0.500
PET-UNK-158bee2a-12
0.500
EDJ-MED-75baa495-2
0.500
PET-UNK-158bee2a-10
0.495
ALF-EVA-ced740bd-2
0.490
EDJ-MED-f9b78f78-3
0.490
PET-UNK-b78139fa-7
0.490
EDJ-MED-75baa495-1
0.482
MIC-UNK-7574fcc6-2
0.480
PET-UNK-158bee2a-9
0.474
BEN-DND-f06bfa8e-4
0.471
BEN-DND-a7517465-3
0.470
MAT-POS-81ae2990-8
0.469
MAT-POS-81ae2990-2
0.460
PET-UNK-b78139fa-6
0.460
EDJ-MED-c5ca5386-1
0.457
PET-UNK-b78139fa-5
0.455
MAT-POS-81ae2990-5
0.452
PET-UNK-064639eb-4
0.452
PET-UNK-064639eb-1
0.452
MIC-UNK-8758c41d-1
0.450
PET-UNK-022eab87-1
0.444
BEN-DND-a7517465-5
0.441
ALF-EVA-ced740bd-1
0.425
PET-UNK-b1ef24dc-21
0.422
PET-UNK-b78139fa-4
0.417
PET-UNK-b78139fa-8
0.417
PET-UNK-b78139fa-9
0.416
BEN-DND-a7517465-2
0.413
PET-UNK-b1ef24dc-22
0.408
PET-UNK-b78139fa-3
0.407
PET-UNK-b78139fa-2
0.407
BEN-DND-a7517465-1
0.406
EDG-MED-5d232de5-1
0.404
EDG-MED-5d232de5-2
0.404
ALP-POS-696356e4-1
0.404
ALP-POS-ce760d3f-7
0.404
MAT-POS-af1eef35-3
0.400
BEN-DND-d6f8d3c6-1
0.400
EDJ-MED-e18764cb-2
0.400
ALP-POS-a577c8a2-1
0.400
PET-UNK-b78139fa-1
0.396
PET-UNK-03fd2068-1
0.396
MIK-ENA-5d9157e9-4
0.395
EDJ-MED-0186a59b-8
0.395
MIK-ENA-5d9157e9-3
0.395
BEN-DND-a7517465-6
0.394
PET-UNK-b1ef24dc-24
0.394
ALP-POS-a577c8a2-2
0.393
PET-UNK-b1ef24dc-23
0.390
EDJ-MED-f9b78f78-5
0.388
EDJ-MED-0186a59b-4
0.383
EDJ-MED-ede277f6-9
0.381