Molecular Properties | |
SMILES: | NCc1ccc(CNc2cnc(CCl)[nH]2)cc1 |
MW: | 250.1 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 66.73 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-76
0.564
MAR-TRE-87acfbcc-93
0.544
MAR-TRE-87acfbcc-90
0.460
MAR-TRE-87acfbcc-33
0.433
MAR-TRE-423310b6-28
0.424
MAR-TRE-87acfbcc-45
0.424
MAR-TRE-87acfbcc-89
0.424
MAR-TRE-87acfbcc-73
0.415
MAR-TRE-87acfbcc-44
0.415
MAR-TRE-87acfbcc-94
0.409
MAR-TRE-87acfbcc-4
0.400
MAR-TRE-87acfbcc-49
0.400
MAR-TRE-87acfbcc-55
0.400
MAR-TRE-87acfbcc-86
0.397
MAR-TRE-87acfbcc-34
0.394
MAR-TRE-87acfbcc-62
0.371
MAR-TRE-87acfbcc-54
0.369
MAR-TRE-87acfbcc-61
0.362
MAR-TRE-87acfbcc-81
0.361
MAR-TRE-87acfbcc-58
0.348
MAR-TRE-87acfbcc-32
0.348
MAR-TRE-87acfbcc-12
0.333
MAR-TRE-87acfbcc-51
0.329
MAR-TRE-87acfbcc-70
0.323
MAR-TRE-87acfbcc-13
0.317
MAR-TRE-87acfbcc-79
0.317
MAR-TRE-87acfbcc-7
0.312
MAR-TRE-87acfbcc-14
0.309
MAR-TRE-87acfbcc-11
0.308
MAR-TRE-87acfbcc-47
0.308
MAR-TRE-87acfbcc-71
0.308
MAR-TRE-87acfbcc-36
0.306
MAR-TRE-87acfbcc-41
0.306
MAR-TRE-87acfbcc-38
0.302
MAR-TRE-87acfbcc-50
0.299
MAR-TRE-87acfbcc-91
0.297
MAR-TRE-87acfbcc-95
0.296
MAR-TRE-87acfbcc-15
0.292
MAR-TRE-87acfbcc-48
0.292
MAR-TRE-87acfbcc-20
0.292
MAR-TRE-87acfbcc-37
0.292
MAR-TRE-87acfbcc-28
0.290
MAR-TRE-87acfbcc-8
0.288
MAR-TRE-87acfbcc-53
0.288
MAR-TRE-87acfbcc-99
0.288
MAR-TRE-87acfbcc-22
0.286
MAR-TRE-87acfbcc-72
0.286
MAR-TRE-87acfbcc-59
0.284
MAR-TRE-87acfbcc-100
0.284
MAR-TRE-87acfbcc-10
0.282
MAR-TRE-87acfbcc-35
0.282
MAR-TRE-87acfbcc-63
0.282
MAR-TRE-87acfbcc-46
0.279
MAR-TRE-87acfbcc-21
0.279
MAR-TRE-87acfbcc-19
0.278
MAR-TRE-87acfbcc-16
0.275
MAR-TRE-87acfbcc-97
0.274
MAR-TRE-87acfbcc-2
0.271
MAR-TRE-87acfbcc-83
0.270
MAR-TRE-87acfbcc-9
0.268
MAR-TRE-87acfbcc-67
0.268
MAR-TRE-87acfbcc-87
0.268
MAR-TRE-87acfbcc-65
0.263
MAR-TRE-87acfbcc-30
0.258
MAR-TRE-87acfbcc-92
0.258
MAR-TRE-87acfbcc-66
0.257
MAR-TRE-87acfbcc-25
0.257
NIM-UNI-43fe0159-2
0.254
MAR-TRE-87acfbcc-29
0.250
MAR-TRE-87acfbcc-5
0.250
MAR-TRE-87acfbcc-39
0.247
JOH-IMS-4b4cc7e6-1
0.245
MAR-TRE-87acfbcc-96
0.243
MAR-TRE-87acfbcc-88
0.243
MAR-TRE-87acfbcc-69
0.242
MAR-TRE-87acfbcc-26
0.242
MAR-TRE-87acfbcc-6
0.239
MAR-TRE-87acfbcc-85
0.239
MAR-TRE-87acfbcc-82
0.236
MAR-TRE-87acfbcc-27
0.236
MAR-TRE-87acfbcc-31
0.235
MAR-TRE-87acfbcc-64
0.233
MAR-TRE-87acfbcc-1
0.233
MAR-TRE-87acfbcc-56
0.232
MAR-TRE-87acfbcc-3
0.232
MAR-TRE-87acfbcc-40
0.229
MAR-TRE-87acfbcc-68
0.229
MAR-TRE-87acfbcc-17
0.228
MAR-TRE-87acfbcc-42
0.227
MAR-TRE-423310b6-46
0.225
MAR-TRE-87acfbcc-23
0.225
KEN-ILL-f8fa3277-1
0.222
MAR-TRE-87acfbcc-18
0.218
MAR-TRE-87acfbcc-77
0.218
MAR-TRE-87acfbcc-52
0.216
MAR-TRE-87acfbcc-24
0.216
MAR-TRE-87acfbcc-60
0.213
MAR-TRE-87acfbcc-74
0.211
MAR-TRE-87acfbcc-80
0.208
MAR-TRE-87acfbcc-43
0.205