Molecular Properties | |
SMILES: | O=C(O)C(Nc1cnc(CCl)[nH]1)c1ccccc1 |
MW: | 265.06 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.01 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-95
0.696
MAR-TRE-87acfbcc-35
0.593
MAR-TRE-87acfbcc-28
0.586
MAR-TRE-87acfbcc-19
0.583
MAR-TRE-87acfbcc-71
0.544
MAR-TRE-87acfbcc-41
0.527
MAR-TRE-87acfbcc-79
0.519
MAR-TRE-87acfbcc-36
0.500
MAR-TRE-87acfbcc-38
0.491
MAR-TRE-87acfbcc-91
0.483
MAR-TRE-87acfbcc-20
0.475
MAR-TRE-87acfbcc-15
0.475
MAR-TRE-87acfbcc-7
0.475
MAR-TRE-87acfbcc-47
0.467
MAR-TRE-87acfbcc-12
0.456
MAR-TRE-87acfbcc-67
0.453
MAR-TRE-87acfbcc-21
0.452
MAR-TRE-87acfbcc-16
0.444
MAR-TRE-87acfbcc-2
0.438
MAR-TRE-87acfbcc-13
0.433
MAR-TRE-87acfbcc-25
0.433
MAR-TRE-87acfbcc-51
0.433
MAR-TRE-87acfbcc-22
0.431
MAR-TRE-87acfbcc-9
0.431
MAR-TRE-87acfbcc-87
0.431
MAR-TRE-87acfbcc-46
0.429
MAR-TRE-87acfbcc-63
0.424
MAR-TRE-87acfbcc-5
0.420
MAR-TRE-87acfbcc-11
0.419
MAR-TRE-87acfbcc-53
0.406
MAR-TRE-87acfbcc-59
0.400
MAR-TRE-87acfbcc-70
0.393
MAR-TRE-87acfbcc-72
0.388
MAR-TRE-87acfbcc-49
0.381
MAR-TRE-87acfbcc-8
0.375
MAR-TRE-87acfbcc-97
0.371
MAR-TRE-87acfbcc-99
0.366
MAR-TRE-87acfbcc-83
0.366
MAR-TRE-87acfbcc-48
0.359
MAR-TRE-87acfbcc-86
0.355
MAR-TRE-87acfbcc-62
0.354
MAR-TRE-87acfbcc-52
0.348
MAR-TRE-87acfbcc-37
0.338
MAR-TRE-87acfbcc-90
0.333
MAR-TRE-87acfbcc-58
0.333
MAR-TRE-87acfbcc-61
0.329
MAR-TRE-87acfbcc-39
0.324
MAR-TRE-87acfbcc-29
0.321
MAR-TRE-36bf7dba-30
0.319
MAR-TRE-87acfbcc-55
0.318
MAR-TRE-87acfbcc-3
0.316
MAR-TRE-87acfbcc-32
0.314
MAR-TRE-aca67d11-10
0.314
MAR-TRE-87acfbcc-26
0.311
MAR-TRE-87acfbcc-76
0.309
MAR-TRE-87acfbcc-100
0.309
MAR-TRE-87acfbcc-33
0.309
MAR-TRE-8190bb11-48
0.306
MAR-TRE-87acfbcc-73
0.301
MAR-TRE-423310b6-62
0.301
MAR-TRE-8190bb11-91
0.300
MAR-TRE-87acfbcc-93
0.300
MAR-TRE-87acfbcc-4
0.299
MAR-TRE-87acfbcc-98
0.299
MAR-TRE-85681e92-49
0.299
MAR-TRE-87acfbcc-1
0.298
MAR-TRE-6a44bbf2-57
0.297
MAR-TRE-87acfbcc-81
0.295
MAR-TRE-8190bb11-6
0.291
MAR-TRE-87acfbcc-69
0.288
MAR-TRE-87acfbcc-10
0.288
MAR-TRE-8190bb11-14
0.287
MAR-TRE-87acfbcc-31
0.287
MAR-TRE-87acfbcc-34
0.284
MAR-TRE-87acfbcc-44
0.284
MAR-TRE-87acfbcc-92
0.284
MAR-TRE-d3c2bf0e-39
0.284
MAR-TRE-85681e92-39
0.284
MAR-TRE-87acfbcc-6
0.282
MAR-TRE-87acfbcc-94
0.280
MAR-TRE-87acfbcc-89
0.279
MAR-TRE-87acfbcc-45
0.279
MAR-TRE-87acfbcc-14
0.278
MAR-TRE-87acfbcc-54
0.278
MAR-TRE-423310b6-68
0.276
MAR-TRE-66ac689e-61
0.272
MAR-TRE-8190bb11-26
0.272
MAR-TRE-87acfbcc-68
0.271
AUS-ARG-7cfdce8f-13
0.270
MAR-TRE-8190bb11-28
0.270
MAR-TRE-8190bb11-59
0.270
SIM-SYN-f15aaa3a-1
0.269
MAR-TRE-87acfbcc-65
0.268
MAR-TRE-6a44bbf2-92
0.268
MAR-TRE-87acfbcc-18
0.267
MAR-TRE-87acfbcc-74
0.267
MAR-TRE-8190bb11-11
0.267
MAR-TRE-87acfbcc-96
0.267
MAR-TRE-aca67d11-30
0.267
MAR-TRE-8190bb11-93
0.265