Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)C(O)C1CCS(=O)(=O)C1 |
MW: | 301.04 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.33 |
cLogP: | 0.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
NJA-MAN-b8640440-46
0.667
NJA-MAN-b8640440-44
0.667
NJA-MAN-00c90aa2-16
0.629
NJA-MAN-b8640440-49
0.611
NJA-MAN-00c90aa2-51
0.571
NJA-MAN-b8640440-41
0.500
NJA-MAN-00c90aa2-3
0.474
NJA-MAN-b8640440-42
0.474
NJA-MAN-b8640440-5
0.474
NJA-MAN-b8640440-6
0.474
NJA-MAN-b8640440-13
0.474
NJA-MAN-00c90aa2-32
0.474
NJA-MAN-00c90aa2-68
0.474
NJA-MAN-b9fb953f-6
0.474
NJA-MAN-b8640440-36
0.474
NJA-MAN-00c90aa2-30
0.468
NJA-MAN-b8640440-12
0.468
NJA-MAN-b8640440-15
0.468
NJA-MAN-b8640440-37
0.468
NJA-MAN-00c90aa2-40
0.463
NJA-MAN-b8640440-14
0.463
NJA-MAN-b8640440-17
0.463
NJA-MAN-00c90aa2-44
0.462
NJA-MAN-b8640440-16
0.462
NJA-MAN-b8640440-26
0.462
NJA-MAN-b8640440-47
0.462
NJA-MAN-b8640440-48
0.462
NJA-MAN-b9fb953f-4
0.462
NJA-MAN-b8640440-9
0.462
NJA-MAN-00c90aa2-17
0.457
NJA-MAN-00c90aa2-25
0.457
NJA-MAN-b8640440-39
0.456
NJA-MAN-b8640440-7
0.456
NJA-MAN-b8640440-8
0.456
NJA-MAN-b8640440-10
0.456
NJA-MAN-b8640440-21
0.456
NJA-MAN-b8640440-34
0.456
NJA-MAN-00c90aa2-15
0.456
NJA-MAN-b8640440-45
0.456
NJA-MAN-00c90aa2-10
0.451
NJA-MAN-00c90aa2-12
0.451
NJA-MAN-b8640440-11
0.450
NJA-MAN-b8640440-33
0.450
NJA-MAN-b8640440-19
0.450
NJA-MAN-b8640440-29
0.450
NJA-MAN-b8640440-32
0.450
NJA-MAN-b8640440-35
0.450
NJA-MAN-b8640440-51
0.450
NJA-MAN-00c90aa2-6
0.446
NJA-MAN-00c90aa2-31
0.446
NJA-MAN-00c90aa2-37
0.446
NJA-MAN-00c90aa2-39
0.446
NJA-MAN-b8640440-40
0.444
NJA-MAN-b8640440-18
0.444
NJA-MAN-b8640440-24
0.444
NJA-MAN-b8640440-25
0.444
NJA-MAN-b8640440-27
0.444
NJA-MAN-b8640440-28
0.444
NJA-MAN-b8640440-38
0.444
NJA-MAN-b8640440-23
0.444
NJA-MAN-b8640440-50
0.444
NJA-MAN-00c90aa2-45
0.444
NJA-MAN-00c90aa2-72
0.444
NJA-MAN-00c90aa2-9
0.440
NJA-MAN-00c90aa2-41
0.440
NJA-MAN-b8640440-30
0.439
NJA-MAN-b8640440-31
0.439
NJA-MAN-00c90aa2-19
0.439
NJA-MAN-00c90aa2-28
0.439
NJA-MAN-00c90aa2-35
0.439
NJA-MAN-b8640440-20
0.439
NJA-MAN-00c90aa2-66
0.439
NJA-MAN-00c90aa2-5
0.434
NJA-MAN-00c90aa2-42
0.434
NJA-MAN-00c90aa2-7
0.434
NJA-MAN-00c90aa2-34
0.434
NJA-MAN-b8640440-22
0.434
NJA-MAN-00c90aa2-4
0.434
NJA-MAN-00c90aa2-11
0.434
NJA-MAN-00c90aa2-14
0.434
NJA-MAN-00c90aa2-20
0.434
NJA-MAN-00c90aa2-22
0.434
NJA-MAN-00c90aa2-38
0.434
NJA-MAN-00c90aa2-43
0.434
NJA-MAN-00c90aa2-70
0.434
NJA-MAN-00c90aa2-71
0.434
NJA-MAN-b8640440-53
0.434
NJA-MAN-00c90aa2-2
0.434
NJA-MAN-00c90aa2-26
0.429
NJA-MAN-b8640440-52
0.429
NJA-MAN-00c90aa2-1
0.429
NJA-MAN-00c90aa2-8
0.429
NJA-MAN-00c90aa2-13
0.429
NJA-MAN-00c90aa2-18
0.429
NJA-MAN-00c90aa2-23
0.429
NJA-MAN-00c90aa2-27
0.429
NJA-MAN-00c90aa2-36
0.429
NJA-MAN-00c90aa2-67
0.429
NJA-MAN-00c90aa2-69
0.429
NJA-MAN-00c90aa2-57
0.425