Molecular Properties | |
SMILES: | O=C(CSc1ccccn1)C(C1CCS(=O)(=O)C1)n1cccn1 |
MW: | 351.07 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 81.92 |
cLogP: | 1.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
NJA-MAN-00c90aa2-51
0.671
NJA-MAN-b8640440-43
0.629
NJA-MAN-b8640440-44
0.611
NJA-MAN-b8640440-46
0.611
NJA-MAN-b8640440-49
0.564
NJA-MAN-00c90aa2-15
0.476
NJA-MAN-b8640440-41
0.462
NJA-MAN-00c90aa2-3
0.458
NJA-MAN-00c90aa2-32
0.457
NJA-MAN-b8640440-48
0.446
NJA-MAN-00c90aa2-60
0.443
NJA-MAN-00c90aa2-25
0.442
NJA-MAN-b8640440-36
0.439
NJA-MAN-b9fb953f-6
0.439
NJA-MAN-b8640440-5
0.439
NJA-MAN-b8640440-6
0.439
NJA-MAN-b8640440-13
0.439
NJA-MAN-00c90aa2-68
0.439
NJA-MAN-b8640440-42
0.439
NJA-MAN-00c90aa2-12
0.437
NJA-MAN-00c90aa2-10
0.437
NJA-MAN-00c90aa2-20
0.437
NJA-MAN-00c90aa2-30
0.435
NJA-MAN-b8640440-32
0.435
NJA-MAN-b8640440-33
0.435
NJA-MAN-b8640440-35
0.435
NJA-MAN-b8640440-12
0.434
NJA-MAN-b8640440-15
0.434
NJA-MAN-b8640440-37
0.434
NJA-MAN-00c90aa2-37
0.432
NJA-MAN-00c90aa2-39
0.432
NJA-MAN-b8640440-50
0.430
NJA-MAN-b8640440-14
0.430
NJA-MAN-b8640440-27
0.430
NJA-MAN-b8640440-16
0.429
NJA-MAN-b8640440-47
0.429
NJA-MAN-b9fb953f-4
0.429
NJA-MAN-b8640440-9
0.429
NJA-MAN-b8640440-26
0.429
NJA-MAN-00c90aa2-44
0.429
NJA-MAN-00c90aa2-64
0.429
NJA-MAN-b8640440-20
0.425
NJA-MAN-00c90aa2-19
0.425
NJA-MAN-00c90aa2-17
0.425
NJA-MAN-b8640440-8
0.424
NJA-MAN-b8640440-45
0.424
NJA-MAN-b8640440-7
0.424
NJA-MAN-b8640440-10
0.424
NJA-MAN-b8640440-21
0.424
NJA-MAN-b8640440-34
0.424
NJA-MAN-b8640440-39
0.424
NJA-MAN-00c90aa2-71
0.420
NJA-MAN-00c90aa2-42
0.420
NJA-MAN-b8640440-11
0.419
NJA-MAN-b8640440-19
0.419
NJA-MAN-b8640440-29
0.419
NJA-MAN-b8640440-51
0.419
NJA-MAN-00c90aa2-55
0.418
NJA-MAN-00c90aa2-31
0.416
NJA-MAN-00c90aa2-1
0.416
NJA-MAN-00c90aa2-23
0.416
NJA-MAN-b8640440-18
0.414
NJA-MAN-00c90aa2-45
0.414
NJA-MAN-00c90aa2-72
0.414
NJA-MAN-b8640440-17
0.414
NJA-MAN-b8640440-23
0.414
NJA-MAN-b8640440-24
0.414
NJA-MAN-b8640440-28
0.414
NJA-MAN-b8640440-40
0.414
NJA-MAN-b8640440-38
0.414
NJA-MAN-b8640440-25
0.414
NJA-MAN-00c90aa2-41
0.411
NJA-MAN-00c90aa2-66
0.409
NJA-MAN-b8640440-31
0.409
NJA-MAN-b8640440-30
0.409
NJA-MAN-00c90aa2-28
0.409
NJA-MAN-00c90aa2-35
0.409
NJA-MAN-00c90aa2-4
0.404
NJA-MAN-b8640440-53
0.404
NJA-MAN-00c90aa2-11
0.404
NJA-MAN-00c90aa2-43
0.404
NJA-MAN-00c90aa2-14
0.404
NJA-MAN-b8640440-22
0.404
NJA-MAN-00c90aa2-2
0.404
NJA-MAN-00c90aa2-7
0.404
NJA-MAN-00c90aa2-5
0.404
NJA-MAN-00c90aa2-22
0.404
NJA-MAN-00c90aa2-34
0.404
NJA-MAN-00c90aa2-38
0.404
NJA-MAN-00c90aa2-70
0.404
NJA-MAN-00c90aa2-48
0.402
NJA-MAN-00c90aa2-46
0.402
NJA-MAN-b8640440-52
0.400
NJA-MAN-00c90aa2-6
0.400
NJA-MAN-00c90aa2-26
0.400
NJA-MAN-00c90aa2-8
0.400
NJA-MAN-00c90aa2-13
0.400
NJA-MAN-00c90aa2-18
0.400
NJA-MAN-00c90aa2-27
0.400
NJA-MAN-00c90aa2-36
0.400