Molecular Properties | |
SMILES: | CC(C)CC(Nc1cnc(CCl)[nH]1)C(N)=O |
MW: | 244.11 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.8 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-7
0.700
MAR-TRE-87acfbcc-25
0.593
MAR-TRE-87acfbcc-41
0.577
MAR-TRE-87acfbcc-20
0.545
MAR-TRE-87acfbcc-15
0.545
MAR-TRE-87acfbcc-79
0.538
MAR-TRE-87acfbcc-12
0.528
MAR-TRE-87acfbcc-91
0.527
MAR-TRE-87acfbcc-36
0.519
MAR-TRE-87acfbcc-21
0.517
MAR-TRE-87acfbcc-38
0.509
MAR-TRE-87acfbcc-16
0.508
MAR-TRE-87acfbcc-13
0.500
MAR-TRE-87acfbcc-97
0.492
MAR-TRE-87acfbcc-87
0.492
MAR-TRE-87acfbcc-9
0.492
MAR-TRE-87acfbcc-22
0.492
MAR-TRE-87acfbcc-67
0.492
MAR-TRE-87acfbcc-99
0.484
MAR-TRE-87acfbcc-53
0.484
MAR-TRE-87acfbcc-47
0.483
MAR-TRE-87acfbcc-2
0.475
MAR-TRE-87acfbcc-51
0.469
MAR-TRE-87acfbcc-63
0.460
MAR-TRE-87acfbcc-59
0.455
MAR-TRE-87acfbcc-5
0.455
MAR-TRE-87acfbcc-35
0.438
MAR-TRE-87acfbcc-95
0.431
MAR-TRE-87acfbcc-50
0.419
MAR-TRE-87acfbcc-46
0.419
MAR-TRE-87acfbcc-8
0.410
MAR-TRE-87acfbcc-70
0.407
MAR-TRE-87acfbcc-28
0.406
MAR-TRE-87acfbcc-72
0.400
MAR-TRE-87acfbcc-86
0.390
MAR-TRE-87acfbcc-19
0.388
MAR-TRE-87acfbcc-83
0.377
MAR-TRE-87acfbcc-48
0.371
MAR-TRE-87acfbcc-71
0.365
MAR-TRE-87acfbcc-55
0.349
MAR-TRE-87acfbcc-4
0.349
MAR-TRE-87acfbcc-49
0.349
MAR-TRE-87acfbcc-90
0.345
MAR-TRE-87acfbcc-62
0.344
MAR-TRE-87acfbcc-32
0.343
MAR-TRE-87acfbcc-61
0.338
MAR-TRE-87acfbcc-92
0.333
MAR-TRE-87acfbcc-37
0.328
MAR-TRE-87acfbcc-45
0.328
MAR-TRE-87acfbcc-14
0.324
MAR-TRE-87acfbcc-58
0.324
MAR-TRE-87acfbcc-33
0.318
MAR-TRE-87acfbcc-100
0.318
MAR-TRE-87acfbcc-34
0.310
MAR-TRE-87acfbcc-65
0.308
MAR-TRE-87acfbcc-98
0.308
MAR-TRE-87acfbcc-89
0.308
MAR-TRE-87acfbcc-1
0.305
MAR-TRE-87acfbcc-27
0.304
MAR-TRE-87acfbcc-82
0.304
MAR-TRE-87acfbcc-23
0.303
MAR-TRE-87acfbcc-26
0.300
MAR-TRE-87acfbcc-68
0.299
MAR-TRE-87acfbcc-69
0.297
MAR-TRE-87acfbcc-10
0.296
MAR-TRE-87acfbcc-29
0.295
MAR-TRE-423310b6-73
0.292
MAR-TRE-87acfbcc-44
0.292
MAR-TRE-87acfbcc-73
0.292
MAR-TRE-87acfbcc-6
0.290
MAR-TRE-87acfbcc-93
0.290
MAR-TRE-87acfbcc-54
0.286
MAR-TRE-87acfbcc-24
0.282
MAR-TRE-87acfbcc-76
0.279
MAR-TRE-87acfbcc-3
0.275
MAR-TRE-d3c2bf0e-74
0.274
MAR-TRE-87acfbcc-94
0.270
MAR-TRE-87acfbcc-81
0.269
MAR-TRE-423310b6-57
0.269
MAR-TRE-a78003aa-34
0.265
MAR-TRE-87acfbcc-74
0.257
MAR-TRE-87acfbcc-30
0.254
MAR-TRE-87acfbcc-85
0.254
MAR-TRE-423310b6-23
0.254
MAR-TRE-87acfbcc-31
0.247
MAR-TRE-87acfbcc-77
0.247
MAR-TRE-a78003aa-8
0.247
MAR-TRE-92684b97-87
0.247
MAR-TRE-423310b6-22
0.246
MAR-TRE-87acfbcc-56
0.246
JUS-UNI-57125a42-1
0.244
MAR-TRE-87acfbcc-39
0.243
MAR-TRE-87acfbcc-60
0.243
MAR-TRE-a78003aa-33
0.243
MAR-TRE-423310b6-9
0.243
MAK-UNK-f983951f-22
0.242
MAR-TRE-423310b6-27
0.240
MAR-TRE-87acfbcc-42
0.240
MAR-TRE-87acfbcc-80
0.239
MAR-TRE-423310b6-88
0.239