Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)N(C1CCS(=O)(=O)C1)C1(O)COC1 |
MW: | 358.07 |
Fraction sp3: | 0.57 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 96.8 |
cLogP: | -0.09 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
non_ring_ketal
het-C-het not in ring
Oxetanes, thietanes
NJA-MAN-b8640440-6
0.818
NJA-MAN-b8640440-16
0.794
NJA-MAN-b8640440-19
0.771
NJA-MAN-b8640440-21
0.685
NJA-MAN-b8640440-23
0.667
NJA-MAN-b8640440-5
0.622
NJA-MAN-b8640440-41
0.611
NJA-MAN-00c90aa2-68
0.600
NJA-MAN-00c90aa2-19
0.595
NJA-MAN-00c90aa2-35
0.595
NJA-MAN-b8640440-12
0.592
NJA-MAN-b8640440-26
0.584
NJA-MAN-b8640440-47
0.584
NJA-MAN-00c90aa2-44
0.584
NJA-MAN-b8640440-17
0.582
NJA-MAN-b8640440-18
0.582
NJA-MAN-b8640440-14
0.582
NJA-MAN-b9fb953f-6
0.579
NJA-MAN-b8640440-13
0.579
NJA-MAN-00c90aa2-32
0.579
NJA-MAN-b8640440-42
0.579
NJA-MAN-b8640440-36
0.579
NJA-MAN-b8640440-7
0.577
NJA-MAN-b8640440-39
0.577
NJA-MAN-00c90aa2-17
0.575
NJA-MAN-00c90aa2-28
0.575
NJA-MAN-00c90aa2-66
0.575
NJA-MAN-00c90aa2-33
0.573
NJA-MAN-b8640440-15
0.571
NJA-MAN-b8640440-37
0.571
NJA-MAN-b8640440-32
0.570
NJA-MAN-b8640440-51
0.570
NJA-MAN-00c90aa2-4
0.568
NJA-MAN-00c90aa2-5
0.568
NJA-MAN-00c90aa2-11
0.568
NJA-MAN-00c90aa2-20
0.568
NJA-MAN-00c90aa2-34
0.568
NJA-MAN-00c90aa2-22
0.568
NJA-MAN-b8640440-48
0.564
NJA-MAN-b8640440-9
0.564
NJA-MAN-b9fb953f-4
0.564
NJA-MAN-b8640440-24
0.562
NJA-MAN-00c90aa2-45
0.562
NJA-MAN-00c90aa2-72
0.562
NJA-MAN-b8640440-28
0.562
NJA-MAN-b8640440-40
0.562
NJA-MAN-00c90aa2-8
0.561
NJA-MAN-00c90aa2-18
0.561
NJA-MAN-00c90aa2-23
0.561
NJA-MAN-00c90aa2-36
0.561
NJA-MAN-00c90aa2-6
0.561
NJA-MAN-00c90aa2-3
0.557
NJA-MAN-00c90aa2-15
0.557
NJA-MAN-b8640440-10
0.557
NJA-MAN-b8640440-8
0.557
NJA-MAN-b8640440-34
0.557
NJA-MAN-b8640440-45
0.557
NJA-MAN-b8640440-20
0.556
NJA-MAN-b8640440-30
0.556
NJA-MAN-00c90aa2-25
0.556
NJA-MAN-00c90aa2-21
0.554
NJA-MAN-b8640440-35
0.550
NJA-MAN-b8640440-11
0.550
NJA-MAN-b8640440-33
0.550
NJA-MAN-00c90aa2-30
0.550
NJA-MAN-b8640440-22
0.549
NJA-MAN-b8640440-53
0.549
NJA-MAN-00c90aa2-2
0.549
NJA-MAN-00c90aa2-14
0.549
NJA-MAN-00c90aa2-38
0.549
NJA-MAN-00c90aa2-43
0.549
NJA-MAN-00c90aa2-70
0.549
NJA-MAN-00c90aa2-71
0.549
NJA-MAN-00c90aa2-7
0.549
NJA-MAN-00c90aa2-12
0.549
NJA-MAN-b8640440-38
0.543
NJA-MAN-b8640440-50
0.543
NJA-MAN-b8640440-25
0.543
NJA-MAN-b8640440-27
0.543
NJA-MAN-b8640440-52
0.542
NJA-MAN-00c90aa2-13
0.542
NJA-MAN-00c90aa2-26
0.542
NJA-MAN-00c90aa2-27
0.542
NJA-MAN-00c90aa2-31
0.542
NJA-MAN-00c90aa2-37
0.542
NJA-MAN-00c90aa2-39
0.542
NJA-MAN-00c90aa2-1
0.542
NJA-MAN-00c90aa2-67
0.542
NJA-MAN-00c90aa2-69
0.542
NJA-MAN-00c90aa2-40
0.542
NJA-MAN-b8640440-31
0.537
NJA-MAN-00c90aa2-9
0.536
NJA-MAN-00c90aa2-24
0.536
NJA-MAN-00c90aa2-29
0.536
NJA-MAN-00c90aa2-41
0.536
NJA-MAN-00c90aa2-57
0.535
NJA-MAN-00c90aa2-65
0.535
NJA-MAN-00c90aa2-10
0.530
NJA-MAN-00c90aa2-42
0.530
NJA-MAN-00c90aa2-47
0.529