Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3cc(N(C)S(C)(=O)=O)ccc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 523.06 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 122.74 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
PET-UNK-09a29654-4
0.768
EDJ-MED-211392e3-2
0.753
EDJ-MED-70ab3faf-3
0.727
PET-UNK-4b4f2bb7-5
0.722
ALP-POS-6f6ae286-2
0.722
PET-UNK-09a29654-6
0.712
PET-UNK-ab76d8f6-1
0.700
PET-UNK-4b4f2bb7-7
0.677
PET-UNK-4b4f2bb7-9
0.673
MIC-UNK-ea4eb352-1
0.673
EDJ-MED-211392e3-1
0.673
PET-UNK-7bb24635-2
0.660
PET-UNK-7bb24635-1
0.657
PET-UNK-7bb24635-3
0.657
PET-UNK-09a29654-5
0.651
PET-UNK-4b4f2bb7-3
0.647
PET-UNK-4b4f2bb7-6
0.634
PET-UNK-4b4f2bb7-8
0.634
PET-UNK-4b4f2bb7-2
0.610
PET-UNK-ab76d8f6-3
0.608
PET-UNK-ab76d8f6-6
0.598
PET-UNK-ab76d8f6-2
0.592
PET-UNK-b38839dc-30
0.592
PET-UNK-4b4f2bb7-1
0.581
PET-UNK-ab76d8f6-5
0.577
PET-UNK-4b4f2bb7-4
0.577
PET-UNK-ab76d8f6-4
0.577
PET-UNK-b78139fa-14
0.567
EDJ-MED-94fddcec-1
0.545
PET-UNK-ad758083-5
0.536
PET-UNK-0d6841fa-5
0.535
EDJ-MED-70ab3faf-2
0.523
PET-UNK-b78139fa-15
0.519
PET-UNK-b78139fa-18
0.514
PET-UNK-022eab87-2
0.514
PET-UNK-6e612674-3
0.509
PET-UNK-6e612674-11
0.509
PET-UNK-6e612674-2
0.505
PET-UNK-6e612674-10
0.505
PET-UNK-6e612674-15
0.500
MIC-UNK-ea4eb352-5
0.500
PET-UNK-6e612674-4
0.500
PET-UNK-a7639856-1
0.500
PET-UNK-6e612674-7
0.500
PET-UNK-6e612674-12
0.500
EDJ-MED-f9b78f78-2
0.496
PET-UNK-b78139fa-12
0.495
PET-UNK-6e612674-6
0.495
PET-UNK-6e612674-14
0.495
MIC-UNK-ea4eb352-9
0.491
PET-UNK-6e612674-1
0.491
PET-UNK-6e612674-9
0.491
PET-UNK-6e612674-8
0.487
PET-UNK-6e612674-16
0.487
MAT-POS-90fd5f68-10
0.486
MIC-UNK-7f86385f-1
0.483
PET-UNK-6e612674-5
0.482
PET-UNK-6e612674-13
0.482
PET-UNK-b78139fa-16
0.481
PET-UNK-b78139fa-17
0.481
PET-UNK-81b485b5-25
0.475
PET-UNK-81b485b5-11
0.475
EDG-MED-10fcb19e-2
0.474
EDJ-MED-6bf93aa8-1
0.474
EDJ-MED-94fddcec-6
0.474
EDJ-MED-1b46f08e-1
0.470
PET-UNK-5d7c542f-1
0.469
ALP-POS-6f6ae286-3
0.469
PET-UNK-407a74a5-16
0.468
PET-UNK-329a9ce9-6
0.466
PET-UNK-407a74a5-11
0.465
PET-UNK-b78139fa-11
0.464
MIC-UNK-7f86385f-2
0.462
PET-UNK-a7639856-3
0.458
PET-UNK-1abb40f2-1
0.455
PET-UNK-1abb40f2-3
0.455
EDJ-MED-70ab3faf-1
0.455
MIC-UNK-7f86385f-4
0.451
MIC-UNK-7f86385f-3
0.451
PET-UNK-5d7c542f-2
0.448
MIC-UNK-7f86385f-5
0.447
PET-UNK-b78139fa-10
0.446
ALP-POS-93b3621f-4
0.444
PET-UNK-b78139fa-13
0.441
MAT-POS-22373164-1
0.441
MAT-POS-b4d6b7fc-3
0.440
PET-UNK-81b485b5-6
0.440
PET-UNK-81b485b5-20
0.440
PET-UNK-e9bc7c59-7
0.438
PET-UNK-1abb40f2-2
0.435
PET-UNK-1abb40f2-4
0.435
EDJ-MED-93390d0c-3
0.432
PET-UNK-e9bc7c59-10
0.431
PET-UNK-a7639856-2
0.429
MAT-POS-b4d6b7fc-4
0.429
PET-UNK-329a9ce9-8
0.427
PET-UNK-b566c0b0-1
0.427
PET-UNK-407a74a5-1
0.426
PET-UNK-03fd2068-9
0.425
PET-UNK-407a74a5-6
0.425