Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)n1cccnc1=O |
MW: | 380.06 |
Fraction sp3: | 0.33 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 102.23 |
cLogP: | 0.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
NJA-MAN-00c90aa2-64
0.671
NJA-MAN-00c90aa2-15
0.662
NJA-MAN-00c90aa2-55
0.659
NJA-MAN-00c90aa2-32
0.645
NJA-MAN-00c90aa2-3
0.641
NJA-MAN-00c90aa2-30
0.613
NJA-MAN-00c90aa2-10
0.610
NJA-MAN-00c90aa2-42
0.590
NJA-MAN-b8640440-12
0.575
NJA-MAN-b8640440-37
0.575
NJA-MAN-b8640440-33
0.573
NJA-MAN-b8640440-41
0.571
NJA-MAN-b8640440-6
0.562
NJA-MAN-00c90aa2-68
0.562
NJA-MAN-b8640440-36
0.562
NJA-MAN-b8640440-21
0.561
NJA-MAN-b8640440-16
0.549
NJA-MAN-b9fb953f-4
0.549
NJA-MAN-00c90aa2-44
0.549
NJA-MAN-b8640440-38
0.548
NJA-MAN-b9fb953f-6
0.543
NJA-MAN-b8640440-5
0.543
NJA-MAN-b8640440-13
0.543
NJA-MAN-b8640440-42
0.543
NJA-MAN-b8640440-7
0.542
NJA-MAN-b8640440-15
0.537
NJA-MAN-b8640440-19
0.536
NJA-MAN-b8640440-35
0.536
NJA-MAN-b8640440-51
0.536
NJA-MAN-b8640440-48
0.530
NJA-MAN-b8640440-9
0.530
NJA-MAN-b8640440-26
0.530
NJA-MAN-b8640440-47
0.530
NJA-MAN-b8640440-27
0.529
NJA-MAN-b8640440-17
0.529
NJA-MAN-b8640440-23
0.529
NJA-MAN-00c90aa2-72
0.529
NJA-MAN-b8640440-18
0.529
NJA-MAN-00c90aa2-37
0.529
NJA-MAN-b8640440-34
0.524
NJA-MAN-b8640440-45
0.524
NJA-MAN-b8640440-8
0.524
NJA-MAN-b8640440-39
0.524
NJA-MAN-b8640440-10
0.524
NJA-MAN-b8640440-20
0.523
NJA-MAN-00c90aa2-25
0.523
NJA-MAN-00c90aa2-28
0.523
NJA-MAN-00c90aa2-35
0.523
NJA-MAN-b8640440-32
0.518
NJA-MAN-b8640440-11
0.518
NJA-MAN-b8640440-29
0.518
NJA-MAN-00c90aa2-38
0.517
NJA-MAN-00c90aa2-34
0.517
NJA-MAN-00c90aa2-7
0.517
NJA-MAN-00c90aa2-59
0.517
NJA-MAN-b8640440-25
0.512
NJA-MAN-b8640440-28
0.512
NJA-MAN-b8640440-40
0.512
NJA-MAN-b8640440-50
0.512
NJA-MAN-b8640440-14
0.512
NJA-MAN-b8640440-24
0.512
NJA-MAN-00c90aa2-45
0.512
NJA-MAN-00c90aa2-26
0.511
NJA-MAN-00c90aa2-18
0.511
NJA-MAN-00c90aa2-31
0.511
NJA-MAN-00c90aa2-39
0.511
NJA-MAN-00c90aa2-69
0.511
NJA-MAN-00c90aa2-50
0.511
NJA-MAN-00c90aa2-17
0.506
NJA-MAN-b8640440-30
0.506
NJA-MAN-b8640440-31
0.506
NJA-MAN-00c90aa2-19
0.506
NJA-MAN-00c90aa2-66
0.506
NJA-MAN-00c90aa2-9
0.506
NJA-MAN-00c90aa2-29
0.506
NJA-MAN-00c90aa2-14
0.500
NJA-MAN-b8640440-53
0.500
NJA-MAN-00c90aa2-20
0.500
NJA-MAN-b8640440-22
0.500
NJA-MAN-00c90aa2-4
0.500
NJA-MAN-00c90aa2-5
0.500
NJA-MAN-00c90aa2-11
0.500
NJA-MAN-00c90aa2-12
0.500
NJA-MAN-00c90aa2-22
0.500
NJA-MAN-00c90aa2-43
0.500
NJA-MAN-00c90aa2-47
0.500
NJA-MAN-00c90aa2-54
0.500
NJA-MAN-00c90aa2-70
0.500
NJA-MAN-00c90aa2-71
0.500
NJA-MAN-00c90aa2-2
0.500
NJA-MAN-00c90aa2-53
0.495
NJA-MAN-00c90aa2-48
0.495
NJA-MAN-00c90aa2-52
0.495
NJA-MAN-00c90aa2-46
0.495
NJA-MAN-b8640440-52
0.494
NJA-MAN-00c90aa2-1
0.494
NJA-MAN-00c90aa2-6
0.494
NJA-MAN-00c90aa2-8
0.494
NJA-MAN-00c90aa2-13
0.494
NJA-MAN-00c90aa2-27
0.494