Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1(O)CC1 |
MW: | 342.07 |
Fraction sp3: | 0.57 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 87.57 |
cLogP: | 0.67 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
NJA-MAN-b8640440-16
0.903
NJA-MAN-b8640440-29
0.818
NJA-MAN-b8640440-21
0.750
NJA-MAN-b8640440-23
0.729
NJA-MAN-b8640440-19
0.714
NJA-MAN-b8640440-41
0.647
NJA-MAN-b8640440-17
0.635
NJA-MAN-b8640440-45
0.630
NJA-MAN-b8640440-9
0.616
NJA-MAN-b8640440-26
0.616
NJA-MAN-b8640440-28
0.613
NJA-MAN-b8640440-13
0.611
NJA-MAN-b8640440-36
0.611
NJA-MAN-00c90aa2-32
0.611
NJA-MAN-b9fb953f-6
0.611
NJA-MAN-b8640440-42
0.611
NJA-MAN-00c90aa2-68
0.611
NJA-MAN-b8640440-5
0.611
NJA-MAN-b8640440-39
0.608
NJA-MAN-b8640440-7
0.608
NJA-MAN-b8640440-15
0.603
NJA-MAN-b8640440-37
0.603
NJA-MAN-b8640440-12
0.603
NJA-MAN-b8640440-51
0.600
NJA-MAN-00c90aa2-44
0.595
NJA-MAN-b8640440-47
0.595
NJA-MAN-b8640440-48
0.595
NJA-MAN-b9fb953f-4
0.595
NJA-MAN-00c90aa2-72
0.592
NJA-MAN-b8640440-24
0.592
NJA-MAN-00c90aa2-15
0.587
NJA-MAN-b8640440-8
0.587
NJA-MAN-00c90aa2-3
0.587
NJA-MAN-b8640440-10
0.587
NJA-MAN-b8640440-34
0.587
NJA-MAN-b8640440-30
0.584
NJA-MAN-00c90aa2-19
0.584
NJA-MAN-00c90aa2-28
0.584
NJA-MAN-00c90aa2-35
0.584
NJA-MAN-00c90aa2-66
0.584
NJA-MAN-b8640440-11
0.579
NJA-MAN-b8640440-32
0.579
NJA-MAN-b8640440-35
0.579
NJA-MAN-00c90aa2-30
0.579
NJA-MAN-b8640440-33
0.579
NJA-MAN-b8640440-53
0.577
NJA-MAN-00c90aa2-7
0.577
NJA-MAN-00c90aa2-11
0.577
NJA-MAN-b8640440-14
0.571
NJA-MAN-b8640440-18
0.571
NJA-MAN-b8640440-25
0.571
NJA-MAN-b8640440-27
0.571
NJA-MAN-b8640440-38
0.571
NJA-MAN-b8640440-40
0.571
NJA-MAN-b8640440-50
0.571
NJA-MAN-00c90aa2-45
0.571
NJA-MAN-b8640440-52
0.570
NJA-MAN-00c90aa2-67
0.570
NJA-MAN-00c90aa2-25
0.564
NJA-MAN-b8640440-20
0.564
NJA-MAN-b8640440-31
0.564
NJA-MAN-00c90aa2-17
0.564
NJA-MAN-00c90aa2-21
0.562
NJA-MAN-00c90aa2-33
0.562
NJA-MAN-00c90aa2-60
0.562
NJA-MAN-b8640440-22
0.557
NJA-MAN-00c90aa2-14
0.557
NJA-MAN-00c90aa2-5
0.557
NJA-MAN-00c90aa2-34
0.557
NJA-MAN-00c90aa2-71
0.557
NJA-MAN-00c90aa2-2
0.557
NJA-MAN-00c90aa2-4
0.557
NJA-MAN-00c90aa2-10
0.557
NJA-MAN-00c90aa2-12
0.557
NJA-MAN-00c90aa2-20
0.557
NJA-MAN-00c90aa2-22
0.557
NJA-MAN-00c90aa2-38
0.557
NJA-MAN-00c90aa2-42
0.557
NJA-MAN-00c90aa2-43
0.557
NJA-MAN-00c90aa2-70
0.557
NJA-MAN-00c90aa2-69
0.550
NJA-MAN-00c90aa2-31
0.550
NJA-MAN-00c90aa2-39
0.550
NJA-MAN-00c90aa2-1
0.550
NJA-MAN-00c90aa2-6
0.550
NJA-MAN-00c90aa2-8
0.550
NJA-MAN-00c90aa2-13
0.550
NJA-MAN-00c90aa2-18
0.550
NJA-MAN-00c90aa2-23
0.550
NJA-MAN-00c90aa2-26
0.550
NJA-MAN-00c90aa2-27
0.550
NJA-MAN-00c90aa2-36
0.550
NJA-MAN-00c90aa2-37
0.550
NJA-MAN-00c90aa2-40
0.550
NJA-MAN-00c90aa2-50
0.549
NJA-MAN-00c90aa2-55
0.549
NJA-MAN-00c90aa2-24
0.543
NJA-MAN-00c90aa2-41
0.543
NJA-MAN-00c90aa2-9
0.543
NJA-MAN-00c90aa2-29
0.543