Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnc(N(C)C)cc23)CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 460.1 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-4b4f2bb7-2
0.763
PET-UNK-7bb24635-2
0.729
PET-UNK-7bb24635-1
0.726
PET-UNK-4b4f2bb7-7
0.713
PET-UNK-4b4f2bb7-9
0.710
PET-UNK-4b4f2bb7-6
0.702
MIC-UNK-ea4eb352-1
0.691
EDJ-MED-211392e3-1
0.691
PET-UNK-4b4f2bb7-3
0.680
PET-UNK-4b4f2bb7-5
0.670
ALP-POS-6f6ae286-2
0.670
PET-UNK-4b4f2bb7-8
0.667
PET-UNK-ab76d8f6-1
0.667
PET-UNK-09a29654-4
0.667
PET-UNK-09a29654-6
0.663
PET-UNK-ee8352fa-3
0.663
EDJ-MED-211392e3-3
0.657
PET-UNK-09a29654-5
0.650
EDJ-MED-211392e3-2
0.650
PET-UNK-ab76d8f6-6
0.629
PET-UNK-ab76d8f6-3
0.622
PET-UNK-ab76d8f6-5
0.622
PET-UNK-ab76d8f6-2
0.622
PET-UNK-b38839dc-30
0.622
PET-UNK-b78139fa-11
0.606
PET-UNK-4b4f2bb7-4
0.606
PET-UNK-ab76d8f6-4
0.606
PET-UNK-4b4f2bb7-1
0.594
PET-UNK-f9b7ae87-7
0.581
PET-UNK-b78139fa-15
0.560
PET-UNK-b78139fa-18
0.556
PET-UNK-b78139fa-16
0.550
PET-UNK-022eab87-2
0.540
PET-UNK-b78139fa-12
0.534
PET-UNK-b78139fa-14
0.534
PET-UNK-7bb24635-6
0.533
PET-UNK-ad758083-5
0.532
PET-UNK-b78139fa-17
0.520
MIC-UNK-ea4eb352-5
0.510
PET-UNK-0d6841fa-5
0.504
MIC-UNK-ea4eb352-9
0.500
PET-UNK-f4e47ebd-18
0.486
PET-UNK-b78139fa-13
0.476
PET-UNK-d899bab6-3
0.470
PET-UNK-b78139fa-10
0.467
PET-UNK-1abb40f2-1
0.463
PET-UNK-1abb40f2-3
0.463
EDJ-MED-70ab3faf-1
0.462
PET-UNK-6e612674-2
0.458
PET-UNK-6e612674-10
0.458
EDJ-MED-70ab3faf-3
0.456
PET-UNK-ee8352fa-2
0.455
PET-UNK-ee8352fa-1
0.450
PET-UNK-6e612674-6
0.450
PET-UNK-6e612674-14
0.450
PET-UNK-6e612674-1
0.446
PET-UNK-6e612674-9
0.446
PET-UNK-407a74a5-1
0.445
PET-UNK-407a74a5-6
0.444
PET-UNK-b566c0b0-3
0.442
PET-UNK-1abb40f2-2
0.441
PET-UNK-1abb40f2-4
0.441
PET-UNK-6e612674-5
0.439
PET-UNK-6e612674-13
0.439
EDJ-MED-70ab3faf-2
0.438
MAT-POS-a5ef2d74-2
0.436
PET-UNK-407a74a5-16
0.436
EDJ-MED-611d11e7-4
0.436
MAT-POS-ec6d90b7-4
0.436
PET-UNK-b38839dc-19
0.434
PET-UNK-b38839dc-20
0.434
PET-UNK-407a74a5-11
0.434
ALF-EVA-82cf4849-4
0.432
PET-UNK-ee8352fa-6
0.432
PET-UNK-c0891748-3
0.432
PET-UNK-c0891748-9
0.432
EDJ-MED-d08626de-2
0.427
PET-UNK-29afea89-2
0.427
EDG-MED-0e5afe9d-3
0.427
EDJ-MED-d08626de-1
0.427
PET-UNK-6e612674-3
0.426
PET-UNK-6e612674-11
0.426
PET-UNK-f4e47ebd-19
0.425
MAT-POS-96f51285-1
0.425
MAT-POS-24589f88-1
0.425
EDJ-MED-611d11e7-7
0.425
PET-UNK-5d7c542f-1
0.425
ALP-POS-6f6ae286-3
0.425
MIC-UNK-54748b58-2
0.424
PET-UNK-a7639856-2
0.422
PET-UNK-81b485b5-13
0.422
PET-UNK-81b485b5-27
0.422
EDJ-MED-611d11e7-1
0.421
MAT-POS-96f51285-2
0.421
PET-UNK-6e612674-4
0.419
PET-UNK-a7639856-1
0.419
PET-UNK-6e612674-7
0.419
PET-UNK-6e612674-12
0.419
PET-UNK-6e612674-15
0.419
MIC-UNK-ea4eb352-4
0.418