Molecular Properties | |
SMILES: | O=C(NCC(O)CBr)c1conc1CCl |
MW: | 295.96 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.36 |
cLogP: | 0.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter1_2_halo_ether
Filter6_benzyl_halide
Filter9_metal
Filter75_alkyl_Br_I
Alkyl Halide
MAR-TRE-a78003aa-6
0.792
MAR-TRE-a78003aa-15
0.776
MAR-TRE-a78003aa-23
0.776
MAR-TRE-a78003aa-11
0.731
MAR-TRE-a78003aa-51
0.700
MAR-TRE-a78003aa-94
0.685
MAR-TRE-a78003aa-16
0.673
MAR-TRE-a78003aa-3
0.649
MAR-TRE-a78003aa-20
0.630
MAR-TRE-a78003aa-99
0.630
MAR-TRE-a78003aa-8
0.596
MAR-TRE-a78003aa-10
0.596
MAR-TRE-a78003aa-66
0.596
MAR-TRE-a78003aa-69
0.585
MAR-TRE-a78003aa-13
0.583
MAR-TRE-a78003aa-85
0.577
MAR-TRE-a78003aa-17
0.571
MAR-TRE-a78003aa-76
0.564
MAR-TRE-a78003aa-22
0.557
MAR-TRE-a78003aa-68
0.556
MAR-TRE-a78003aa-36
0.545
MAR-TRE-a78003aa-72
0.545
MAR-TRE-a78003aa-40
0.536
MAR-TRE-a78003aa-83
0.527
MAR-TRE-a78003aa-92
0.526
MAR-TRE-a78003aa-24
0.526
MAR-TRE-a78003aa-62
0.525
MAR-TRE-a78003aa-32
0.517
MAR-TRE-a78003aa-60
0.517
MAR-TRE-a78003aa-88
0.508
MAR-TRE-a78003aa-44
0.508
MAR-TRE-a78003aa-37
0.508
MAR-TRE-a78003aa-18
0.508
MAR-TRE-a78003aa-80
0.500
MAR-TRE-a78003aa-33
0.500
MAR-TRE-a78003aa-64
0.500
MAR-TRE-a78003aa-30
0.500
MAR-TRE-a78003aa-41
0.492
MAR-TRE-a78003aa-27
0.491
MAR-TRE-a78003aa-49
0.491
MAR-TRE-a78003aa-43
0.491
MAR-TRE-a78003aa-58
0.484
MAR-TRE-a78003aa-97
0.484
MAR-TRE-a78003aa-34
0.483
MAR-TRE-a78003aa-63
0.476
MAR-TRE-a78003aa-73
0.476
MAR-TRE-a78003aa-12
0.475
MAR-TRE-a78003aa-91
0.475
MAR-TRE-a78003aa-78
0.469
MAR-TRE-a78003aa-100
0.469
MAR-TRE-a78003aa-71
0.468
MAR-TRE-a78003aa-59
0.466
MAR-TRE-a78003aa-48
0.462
MAR-TRE-a78003aa-52
0.462
MAR-TRE-a78003aa-29
0.455
MAR-TRE-a78003aa-56
0.455
MAR-TRE-a78003aa-67
0.452
MAR-TRE-a78003aa-28
0.452
MAR-TRE-a78003aa-14
0.448
MAR-TRE-a78003aa-70
0.441
MAR-TRE-a78003aa-96
0.438
MAR-TRE-a78003aa-46
0.435
MAR-TRE-a78003aa-2
0.433
MAR-TRE-a78003aa-89
0.415
MAR-TRE-a78003aa-21
0.409
MAR-TRE-a78003aa-55
0.409
MAR-TRE-a78003aa-50
0.406
MAR-TRE-a78003aa-19
0.405
MAR-TRE-a78003aa-54
0.403
MAR-TRE-a78003aa-47
0.403
MAR-TRE-a78003aa-38
0.400
MAR-TRE-a78003aa-86
0.400
MAR-TRE-a78003aa-61
0.397
MAR-TRE-a78003aa-82
0.397
MAR-TRE-a78003aa-90
0.397
MAR-TRE-a78003aa-75
0.397
MAR-TRE-a78003aa-95
0.397
MAR-TRE-a78003aa-93
0.391
MAR-TRE-a78003aa-84
0.391
MAR-TRE-a78003aa-25
0.391
MAR-TRE-a78003aa-65
0.391
MAR-TRE-a78003aa-79
0.391
MAR-TRE-a78003aa-39
0.391
MAR-TRE-a78003aa-42
0.386
MAR-TRE-a78003aa-31
0.386
MAR-TRE-a78003aa-26
0.386
MAR-TRE-a78003aa-35
0.386
MAR-TRE-a78003aa-74
0.386
MAR-TRE-a78003aa-77
0.386
MAR-TRE-a78003aa-57
0.380
MAR-TRE-a78003aa-5
0.380
MAR-TRE-a78003aa-98
0.380
MAR-TRE-a78003aa-1
0.375
MAR-TRE-a78003aa-45
0.375
MAR-TRE-a78003aa-81
0.375
MAR-TRE-a78003aa-87
0.375
MAR-TRE-a78003aa-7
0.375
MAR-TRE-a78003aa-9
0.375
MAR-TRE-a78003aa-53
0.370
MAR-TRE-87acfbcc-38
0.258