Molecular Properties | |
SMILES: | CN(c1ccc2cncc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)c2c1)S(C)(=O)=O |
MW: | 493.05 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
PET-UNK-7bb24635-4
0.800
EDJ-MED-94fddcec-1
0.777
EDJ-MED-93390d0c-1
0.723
PET-UNK-09a29654-3
0.710
EDJ-MED-d9f3798e-3
0.694
PET-UNK-2c6614b6-6
0.688
PET-UNK-7bb24635-5
0.657
PET-UNK-7bb24635-6
0.646
MAT-POS-66a736cf-1
0.638
LUO-POS-868e8996-13
0.638
LUO-POS-868e8996-14
0.638
MIC-UNK-91acba05-3
0.638
EDJ-MED-93390d0c-2
0.636
EDG-MED-f9979214-1
0.634
PET-UNK-09a29654-2
0.631
PET-UNK-2c6614b6-7
0.629
BEN-DND-f06bfa8e-5
0.628
EDJ-MED-b7309adf-2
0.628
PET-UNK-329a9ce9-2
0.621
PET-UNK-2c6614b6-8
0.619
PET-UNK-2c6614b6-9
0.615
PET-UNK-2c6614b6-2
0.614
PET-UNK-b38839dc-17
0.608
PET-UNK-b38839dc-16
0.602
PET-UNK-e9bc7c59-1
0.600
EDG-MED-f9979214-2
0.594
ALP-POS-6f6ae286-7
0.594
EDJ-MED-b7309adf-1
0.590
PET-UNK-2c6614b6-5
0.590
MAT-POS-86c60949-1
0.590
PET-UNK-2c6614b6-3
0.583
PET-UNK-e9bc7c59-4
0.579
BEN-DND-0ac71396-1
0.578
EDJ-MED-94fddcec-2
0.574
PET-UNK-b1ef24dc-15
0.570
BEN-DND-0ac71396-2
0.562
PET-UNK-b1ef24dc-16
0.560
PET-UNK-b38839dc-15
0.560
PET-UNK-7f7e354d-3
0.554
EDJ-MED-94fddcec-3
0.554
PET-UNK-2c6614b6-1
0.553
MAT-POS-37ffad05-1
0.553
PET-UNK-09a29654-4
0.550
PET-UNK-2c6614b6-4
0.549
PET-UNK-b1ef24dc-13
0.545
EDJ-MED-f9b78f78-2
0.537
PET-UNK-b1ef24dc-14
0.534
PET-UNK-ee8352fa-4
0.514
PET-UNK-b78139fa-7
0.505
MAT-POS-90fd5f68-28
0.495
PET-UNK-329a9ce9-6
0.491
PET-UNK-a7639856-1
0.474
BEN-DND-c852c98b-5
0.472
ERI-UCB-8d4e5055-4
0.472
PET-UNK-158bee2a-11
0.470
MIC-UNK-8758c41d-1
0.467
EDJ-MED-d9f3798e-2
0.465
PET-UNK-022eab87-1
0.462
PET-UNK-fe31e24a-2
0.459
EDJ-MED-dd2a8363-2
0.458
RAL-THA-b9d6aec1-1
0.455
PET-UNK-158bee2a-12
0.455
ALF-EVA-5b152d2f-3
0.453
RAL-THA-b9d6aec1-3
0.450
PET-UNK-b78139fa-2
0.450
PET-UNK-158bee2a-10
0.450
PET-UNK-e9bc7c59-7
0.449
EDJ-MED-ba7e64f2-1
0.449
PET-UNK-b78139fa-8
0.449
PET-UNK-b78139fa-6
0.449
BEN-DND-c852c98b-4
0.449
PET-UNK-fe31e24a-6
0.446
ALP-POS-e6e0c683-4
0.442
PET-UNK-1e13ef09-2
0.442
RAL-THA-b9d6aec1-2
0.442
ALF-EVA-5b152d2f-2
0.440
MAT-POS-78ab8081-5
0.437
ALP-POS-a577c8a2-2
0.436
EDG-MED-5d232de5-2
0.435
EDG-MED-5d232de5-1
0.435
ALP-POS-ce760d3f-7
0.435
ALP-POS-696356e4-1
0.435
PET-UNK-b78139fa-9
0.434
PET-UNK-158bee2a-9
0.434
BEN-DND-f06bfa8e-4
0.432
MAT-POS-f9802937-7
0.432
BEN-DND-c852c98b-3
0.432
PET-UNK-329a9ce9-4
0.432
PET-UNK-329a9ce9-1
0.431
MAT-POS-419aafdb-1
0.431
BEN-DND-c852c98b-2
0.430
PET-UNK-e9bc7c59-10
0.430
EDJ-MED-f9b78f78-1
0.429
PET-UNK-064639eb-1
0.429
PET-UNK-064639eb-4
0.429
MAT-POS-b4d6b7fc-4
0.427
PET-UNK-81b485b5-25
0.426
PET-UNK-81b485b5-11
0.426
PET-UNK-b78139fa-3
0.425
MAK-UNK-8be7dca9-8
0.425