Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)n1ccncc1=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-00c90aa2-55
0.675
NJA-MAN-00c90aa2-60
0.671
NJA-MAN-00c90aa2-10
0.627
NJA-MAN-00c90aa2-32
0.620
NJA-MAN-00c90aa2-3
0.617
NJA-MAN-00c90aa2-15
0.617
NJA-MAN-00c90aa2-30
0.590
NJA-MAN-b8640440-12
0.573
NJA-MAN-00c90aa2-42
0.570
NJA-MAN-b8640440-33
0.553
NJA-MAN-b8640440-41
0.550
NJA-MAN-00c90aa2-18
0.545
NJA-MAN-00c90aa2-69
0.545
NJA-MAN-b8640440-36
0.542
NJA-MAN-00c90aa2-68
0.542
NJA-MAN-b8640440-6
0.542
NJA-MAN-b8640440-21
0.541
NJA-MAN-b8640440-37
0.536
NJA-MAN-b8640440-35
0.535
NJA-MAN-00c90aa2-43
0.534
NJA-MAN-b8640440-16
0.529
NJA-MAN-00c90aa2-44
0.529
NJA-MAN-00c90aa2-72
0.529
NJA-MAN-b9fb953f-6
0.524
NJA-MAN-b8640440-13
0.524
NJA-MAN-b8640440-5
0.524
NJA-MAN-b8640440-42
0.524
NJA-MAN-b8640440-34
0.523
NJA-MAN-00c90aa2-66
0.523
NJA-MAN-b8640440-15
0.518
NJA-MAN-b8640440-19
0.517
NJA-MAN-b9fb953f-4
0.512
NJA-MAN-b8640440-9
0.512
NJA-MAN-b8640440-26
0.512
NJA-MAN-b8640440-47
0.512
NJA-MAN-b8640440-48
0.512
NJA-MAN-b8640440-27
0.511
NJA-MAN-b8640440-17
0.511
NJA-MAN-b8640440-18
0.511
NJA-MAN-b8640440-23
0.511
NJA-MAN-b8640440-38
0.511
NJA-MAN-00c90aa2-45
0.511
NJA-MAN-00c90aa2-31
0.511
NJA-MAN-00c90aa2-50
0.511
NJA-MAN-b8640440-7
0.506
NJA-MAN-b8640440-8
0.506
NJA-MAN-b8640440-39
0.506
NJA-MAN-b8640440-45
0.506
NJA-MAN-b8640440-10
0.506
NJA-MAN-b8640440-20
0.506
NJA-MAN-b8640440-30
0.506
NJA-MAN-00c90aa2-19
0.506
NJA-MAN-00c90aa2-28
0.506
NJA-MAN-00c90aa2-9
0.505
NJA-MAN-00c90aa2-24
0.505
NJA-MAN-00c90aa2-62
0.505
NJA-MAN-b8640440-11
0.500
NJA-MAN-b8640440-32
0.500
NJA-MAN-b8640440-51
0.500
NJA-MAN-00c90aa2-5
0.500
NJA-MAN-00c90aa2-7
0.500
NJA-MAN-00c90aa2-11
0.500
NJA-MAN-00c90aa2-22
0.500
NJA-MAN-b8640440-29
0.500
NJA-MAN-00c90aa2-63
0.500
NJA-MAN-00c90aa2-38
0.500
NJA-MAN-00c90aa2-59
0.500
NJA-MAN-00c90aa2-70
0.500
NJA-MAN-00c90aa2-34
0.500
NJA-MAN-00c90aa2-56
0.495
NJA-MAN-00c90aa2-53
0.495
NJA-MAN-00c90aa2-46
0.495
NJA-MAN-00c90aa2-13
0.495
NJA-MAN-00c90aa2-26
0.495
NJA-MAN-00c90aa2-27
0.495
NJA-MAN-00c90aa2-36
0.495
NJA-MAN-00c90aa2-37
0.495
NJA-MAN-00c90aa2-40
0.495
NJA-MAN-00c90aa2-67
0.495
NJA-MAN-00c90aa2-23
0.495
NJA-MAN-b8640440-24
0.494
NJA-MAN-b8640440-14
0.494
NJA-MAN-b8640440-25
0.494
NJA-MAN-b8640440-28
0.494
NJA-MAN-b8640440-50
0.494
NJA-MAN-b8640440-40
0.494
NJA-MAN-00c90aa2-58
0.489
NJA-MAN-00c90aa2-61
0.489
NJA-MAN-00c90aa2-21
0.489
NJA-MAN-00c90aa2-25
0.489
NJA-MAN-00c90aa2-35
0.489
NJA-MAN-b8640440-31
0.489
NJA-MAN-00c90aa2-17
0.489
NJA-MAN-00c90aa2-49
0.484
NJA-MAN-00c90aa2-47
0.484
NJA-MAN-00c90aa2-54
0.484
NJA-MAN-b8640440-22
0.484
NJA-MAN-b8640440-53
0.484
NJA-MAN-00c90aa2-2
0.484
NJA-MAN-00c90aa2-4
0.484