Molecular Properties | |
SMILES: | Cc1ncc(CO)c(CNc2cnc(CCl)[nH]2)c1O |
MW: | 282.09 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 94.06 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-33
0.424
MAR-TRE-87acfbcc-93
0.412
MAR-TRE-c8530538-48
0.407
MAR-TRE-87acfbcc-76
0.403
MAR-TRE-87acfbcc-90
0.397
MAR-TRE-87acfbcc-98
0.394
MAR-TRE-87acfbcc-86
0.391
MAR-TRE-87acfbcc-94
0.384
MAR-TRE-d3c2bf0e-2
0.377
MAR-TRE-87acfbcc-54
0.366
MAR-TRE-87acfbcc-49
0.353
MAR-TRE-87acfbcc-55
0.353
MAR-TRE-87acfbcc-4
0.353
MAR-TRE-87acfbcc-45
0.353
MAR-TRE-87acfbcc-73
0.351
MAR-TRE-87acfbcc-62
0.348
MAR-TRE-87acfbcc-32
0.347
MAR-TRE-4f39ef4a-33
0.342
MAR-TRE-87acfbcc-81
0.342
MAR-TRE-87acfbcc-79
0.338
MAR-TRE-87acfbcc-89
0.333
MAR-TRE-87acfbcc-7
0.333
MAR-TRE-87acfbcc-58
0.329
MAR-TRE-87acfbcc-8
0.329
MAR-TRE-87acfbcc-41
0.328
MAR-TRE-87acfbcc-91
0.319
MAR-TRE-87acfbcc-13
0.319
MAR-TRE-87acfbcc-20
0.314
MAR-TRE-87acfbcc-15
0.314
MAR-TRE-87acfbcc-12
0.313
MAR-TRE-87acfbcc-11
0.310
MAR-TRE-87acfbcc-47
0.310
MAR-TRE-87acfbcc-36
0.309
MAR-TRE-87acfbcc-61
0.308
MAR-TRE-87acfbcc-72
0.307
MAR-TRE-87acfbcc-38
0.304
MAR-TRE-87acfbcc-59
0.304
MAR-TRE-87acfbcc-21
0.301
MAR-TRE-87acfbcc-44
0.299
MAR-TRE-87acfbcc-16
0.297
MAR-TRE-87acfbcc-48
0.296
MAR-TRE-87acfbcc-25
0.295
MAR-TRE-87acfbcc-97
0.295
MAR-TRE-87acfbcc-99
0.291
MAR-TRE-87acfbcc-87
0.289
MAR-TRE-87acfbcc-9
0.289
MAR-TRE-87acfbcc-22
0.289
MAR-TRE-87acfbcc-67
0.289
MAR-TRE-c8530538-57
0.286
MAR-TRE-87acfbcc-29
0.286
MAR-TRE-87acfbcc-46
0.284
MAR-TRE-87acfbcc-50
0.284
MAR-TRE-87acfbcc-95
0.282
MAR-TRE-87acfbcc-51
0.278
MAR-TRE-87acfbcc-2
0.276
MAR-TRE-87acfbcc-28
0.276
MAR-TRE-87acfbcc-53
0.275
MAR-TRE-87acfbcc-83
0.275
MAR-TRE-87acfbcc-5
0.272
MAR-TRE-87acfbcc-100
0.270
MAR-TRE-87acfbcc-35
0.269
MAR-TRE-87acfbcc-10
0.269
MAR-TRE-87acfbcc-63
0.269
MAR-TRE-87acfbcc-70
0.268
MAR-TRE-87acfbcc-65
0.267
MAR-TRE-87acfbcc-19
0.266
MAR-TRE-87acfbcc-37
0.260
MAR-TRE-87acfbcc-14
0.260
MAR-TRE-87acfbcc-27
0.260
MAR-TRE-87acfbcc-71
0.257
MAR-TRE-87acfbcc-68
0.253
MAR-TRE-87acfbcc-69
0.250
MAR-TRE-87acfbcc-6
0.247
MAR-TRE-87acfbcc-92
0.247
MAR-TRE-87acfbcc-82
0.244
MAR-TRE-87acfbcc-80
0.234
MAR-TRE-87acfbcc-26
0.232
MAR-TRE-87acfbcc-30
0.230
MAR-TRE-87acfbcc-57
0.228
MAR-TRE-87acfbcc-1
0.226
MAR-TRE-87acfbcc-24
0.225
MUS-SCH-c2f96c06-14
0.221
MAR-TRE-87acfbcc-85
0.215
MAR-TRE-87acfbcc-66
0.215
MUS-SCH-c2f96c06-7
0.213
MAR-TRE-87acfbcc-77
0.212
MAR-TRE-87acfbcc-3
0.211
MAR-TRE-87acfbcc-64
0.210
MAR-TRE-87acfbcc-56
0.208
MAR-TRE-87acfbcc-60
0.207
MAR-TRE-87acfbcc-42
0.205
MAR-TRE-87acfbcc-74
0.205
MAR-TRE-87acfbcc-23
0.205
MAR-TRE-87acfbcc-84
0.204
MAR-TRE-87acfbcc-88
0.203
MUS-SCH-c2f96c06-12
0.202
CHE-IND-e4c3c928-1
0.202
MAR-TRE-87acfbcc-43
0.200
MAR-TRE-36bf7dba-83
0.200
MAR-TRE-87acfbcc-31
0.200