Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)N(c1cn[nH]c(=O)c1)C1CCS(=O)(=O)C1 |
MW: | 380.06 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 113.09 |
cLogP: | 0.48 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
NJA-MAN-00c90aa2-13
0.704
NJA-MAN-00c90aa2-49
0.682
NJA-MAN-00c90aa2-66
0.679
NJA-MAN-00c90aa2-43
0.671
NJA-MAN-00c90aa2-46
0.659
NJA-MAN-00c90aa2-58
0.651
NJA-MAN-00c90aa2-4
0.651
NJA-MAN-00c90aa2-70
0.651
NJA-MAN-00c90aa2-45
0.646
NJA-MAN-00c90aa2-27
0.643
NJA-MAN-00c90aa2-1
0.643
NJA-MAN-00c90aa2-21
0.635
NJA-MAN-00c90aa2-6
0.624
NJA-MAN-00c90aa2-31
0.624
NJA-MAN-00c90aa2-52
0.621
NJA-MAN-00c90aa2-14
0.612
NJA-MAN-00c90aa2-54
0.609
NJA-MAN-00c90aa2-63
0.607
NJA-MAN-00c90aa2-68
0.605
NJA-MAN-00c90aa2-26
0.605
NJA-MAN-00c90aa2-50
0.602
NJA-MAN-00c90aa2-41
0.598
NJA-MAN-00c90aa2-62
0.596
NJA-MAN-00c90aa2-57
0.596
NJA-MAN-00c90aa2-47
0.591
NJA-MAN-00c90aa2-44
0.590
NJA-MAN-00c90aa2-69
0.586
NJA-MAN-00c90aa2-48
0.584
NJA-MAN-00c90aa2-56
0.582
NJA-MAN-00c90aa2-19
0.581
NJA-MAN-00c90aa2-9
0.580
NJA-MAN-00c90aa2-12
0.575
NJA-MAN-00c90aa2-2
0.575
NJA-MAN-00c90aa2-11
0.575
NJA-MAN-00c90aa2-34
0.575
NJA-MAN-00c90aa2-59
0.573
NJA-MAN-00c90aa2-72
0.570
NJA-MAN-00c90aa2-40
0.568
NJA-MAN-00c90aa2-8
0.568
NJA-MAN-00c90aa2-18
0.568
NJA-MAN-00c90aa2-23
0.568
NJA-MAN-00c90aa2-36
0.568
NJA-MAN-00c90aa2-17
0.563
NJA-MAN-00c90aa2-28
0.563
NJA-MAN-00c90aa2-25
0.563
NJA-MAN-00c90aa2-35
0.563
NJA-MAN-00c90aa2-29
0.562
NJA-MAN-00c90aa2-33
0.562
NJA-MAN-00c90aa2-24
0.562
NJA-MAN-00c90aa2-61
0.560
NJA-MAN-00c90aa2-65
0.560
NJA-MAN-00c90aa2-38
0.557
NJA-MAN-00c90aa2-5
0.557
NJA-MAN-00c90aa2-20
0.557
NJA-MAN-00c90aa2-22
0.557
NJA-MAN-00c90aa2-71
0.557
NJA-MAN-00c90aa2-7
0.557
NJA-MAN-00c90aa2-39
0.551
NJA-MAN-00c90aa2-67
0.551
NJA-MAN-00c90aa2-37
0.551
NJA-MAN-b8640440-41
0.537
NJA-MAN-b8640440-48
0.535
NJA-MAN-b8640440-13
0.529
NJA-MAN-b8640440-36
0.529
NJA-MAN-b8640440-5
0.529
NJA-MAN-b8640440-12
0.523
NJA-MAN-b9fb953f-6
0.512
NJA-MAN-b8640440-6
0.512
NJA-MAN-b8640440-42
0.512
NJA-MAN-00c90aa2-32
0.512
NJA-MAN-00c90aa2-3
0.511
NJA-MAN-00c90aa2-15
0.511
NJA-MAN-b8640440-21
0.511
NJA-MAN-b8640440-15
0.506
NJA-MAN-b8640440-37
0.506
NJA-MAN-b8640440-29
0.506
NJA-MAN-b8640440-33
0.506
NJA-MAN-b9fb953f-4
0.500
NJA-MAN-b8640440-26
0.500
NJA-MAN-b8640440-47
0.500
NJA-MAN-b8640440-9
0.500
NJA-MAN-b8640440-16
0.500
NJA-MAN-b8640440-18
0.500
NJA-MAN-b8640440-23
0.500
NJA-MAN-b8640440-50
0.500
NJA-MAN-00c90aa2-64
0.495
NJA-MAN-00c90aa2-60
0.495
NJA-MAN-b8640440-34
0.494
NJA-MAN-b8640440-7
0.494
NJA-MAN-b8640440-39
0.494
NJA-MAN-b8640440-8
0.494
NJA-MAN-b8640440-10
0.494
NJA-MAN-b8640440-45
0.494
NJA-MAN-b8640440-53
0.489
NJA-MAN-00c90aa2-10
0.489
NJA-MAN-b8640440-32
0.489
NJA-MAN-b8640440-35
0.489
NJA-MAN-b8640440-51
0.489
NJA-MAN-00c90aa2-30
0.489
NJA-MAN-b8640440-11
0.489