Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)N(c1c[nH]cn1)C1CCS(=O)(=O)C1 |
MW: | 352.07 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 96.02 |
cLogP: | 1.12 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
NJA-MAN-00c90aa2-44
0.726
NJA-MAN-00c90aa2-62
0.722
NJA-MAN-00c90aa2-17
0.711
NJA-MAN-00c90aa2-12
0.701
NJA-MAN-00c90aa2-57
0.700
NJA-MAN-00c90aa2-31
0.692
NJA-MAN-00c90aa2-20
0.679
NJA-MAN-00c90aa2-71
0.679
NJA-MAN-00c90aa2-61
0.679
NJA-MAN-00c90aa2-26
0.671
NJA-MAN-00c90aa2-36
0.671
NJA-MAN-00c90aa2-40
0.671
NJA-MAN-00c90aa2-67
0.671
NJA-MAN-00c90aa2-23
0.671
NJA-MAN-00c90aa2-69
0.671
NJA-MAN-00c90aa2-50
0.667
NJA-MAN-00c90aa2-68
0.653
NJA-MAN-00c90aa2-1
0.650
NJA-MAN-00c90aa2-58
0.639
NJA-MAN-00c90aa2-59
0.634
NJA-MAN-00c90aa2-13
0.630
NJA-MAN-00c90aa2-19
0.625
NJA-MAN-00c90aa2-66
0.625
NJA-MAN-00c90aa2-9
0.622
NJA-MAN-00c90aa2-29
0.622
NJA-MAN-00c90aa2-14
0.617
NJA-MAN-00c90aa2-34
0.617
NJA-MAN-00c90aa2-38
0.617
NJA-MAN-00c90aa2-2
0.617
NJA-MAN-00c90aa2-11
0.617
NJA-MAN-00c90aa2-54
0.614
NJA-MAN-00c90aa2-72
0.613
NJA-MAN-00c90aa2-45
0.613
NJA-MAN-00c90aa2-46
0.607
NJA-MAN-00c90aa2-28
0.605
NJA-MAN-00c90aa2-35
0.605
NJA-MAN-00c90aa2-25
0.605
NJA-MAN-00c90aa2-56
0.605
NJA-MAN-00c90aa2-33
0.602
NJA-MAN-00c90aa2-41
0.602
NJA-MAN-00c90aa2-4
0.598
NJA-MAN-00c90aa2-5
0.598
NJA-MAN-00c90aa2-7
0.598
NJA-MAN-00c90aa2-22
0.598
NJA-MAN-00c90aa2-43
0.598
NJA-MAN-00c90aa2-70
0.598
NJA-MAN-00c90aa2-47
0.595
NJA-MAN-00c90aa2-49
0.593
NJA-MAN-00c90aa2-39
0.590
NJA-MAN-00c90aa2-6
0.590
NJA-MAN-00c90aa2-18
0.590
NJA-MAN-00c90aa2-27
0.590
NJA-MAN-00c90aa2-37
0.590
NJA-MAN-00c90aa2-48
0.588
NJA-MAN-00c90aa2-52
0.588
NJA-MAN-00c90aa2-21
0.583
NJA-MAN-00c90aa2-24
0.583
NJA-MAN-00c90aa2-65
0.581
NJA-MAN-b8640440-41
0.579
NJA-MAN-b8640440-48
0.575
NJA-MAN-00c90aa2-63
0.575
NJA-MAN-b9fb953f-6
0.570
NJA-MAN-b8640440-5
0.570
NJA-MAN-00c90aa2-53
0.568
NJA-MAN-b8640440-15
0.562
NJA-MAN-b8640440-29
0.561
NJA-MAN-b8640440-47
0.556
NJA-MAN-b9fb953f-4
0.556
NJA-MAN-b8640440-26
0.556
NJA-MAN-b8640440-36
0.550
NJA-MAN-b8640440-42
0.550
NJA-MAN-b8640440-6
0.550
NJA-MAN-b8640440-13
0.550
NJA-MAN-00c90aa2-32
0.550
NJA-MAN-b8640440-34
0.549
NJA-MAN-b8640440-39
0.549
NJA-MAN-b8640440-37
0.543
NJA-MAN-b8640440-12
0.543
NJA-MAN-00c90aa2-30
0.542
NJA-MAN-b8640440-32
0.542
NJA-MAN-b8640440-9
0.537
NJA-MAN-b8640440-16
0.537
NJA-MAN-b8640440-14
0.536
NJA-MAN-b8640440-50
0.536
NJA-MAN-b8640440-8
0.530
NJA-MAN-b8640440-10
0.530
NJA-MAN-b8640440-21
0.530
NJA-MAN-00c90aa2-3
0.530
NJA-MAN-00c90aa2-15
0.530
NJA-MAN-b8640440-45
0.530
NJA-MAN-b8640440-7
0.530
NJA-MAN-b8640440-11
0.524
NJA-MAN-b8640440-33
0.524
NJA-MAN-b8640440-35
0.524
NJA-MAN-b8640440-19
0.524
NJA-MAN-b8640440-51
0.524
NJA-MAN-b8640440-53
0.523
NJA-MAN-b8640440-22
0.523
NJA-MAN-b8640440-18
0.518
NJA-MAN-b8640440-17
0.518