Molecular Properties | |
SMILES: | Cn1cncc1CC(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 283.08 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 95.83 |
cLogP: | 0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-41
0.559
MAR-TRE-87acfbcc-63
0.545
MAR-TRE-87acfbcc-59
0.536
MAR-TRE-87acfbcc-20
0.532
MAR-TRE-87acfbcc-7
0.532
MAR-TRE-87acfbcc-15
0.532
MAR-TRE-87acfbcc-91
0.516
MAR-TRE-87acfbcc-21
0.508
MAR-TRE-87acfbcc-67
0.507
MAR-TRE-87acfbcc-9
0.507
MAR-TRE-87acfbcc-51
0.507
MAR-TRE-87acfbcc-16
0.500
MAR-TRE-87acfbcc-2
0.493
MAR-TRE-87acfbcc-87
0.485
MAR-TRE-87acfbcc-22
0.485
MAR-TRE-87acfbcc-79
0.475
MAR-TRE-87acfbcc-36
0.460
MAR-TRE-87acfbcc-99
0.458
MAR-TRE-87acfbcc-11
0.455
MAR-TRE-87acfbcc-38
0.453
MAR-TRE-87acfbcc-25
0.444
MAR-TRE-87acfbcc-12
0.444
MAR-TRE-87acfbcc-53
0.438
MAR-TRE-87acfbcc-47
0.433
MAR-TRE-87acfbcc-13
0.424
MAR-TRE-87acfbcc-50
0.420
MAR-TRE-87acfbcc-35
0.417
MAR-TRE-87acfbcc-95
0.411
MAR-TRE-87acfbcc-97
0.405
MAR-TRE-87acfbcc-46
0.400
MAR-TRE-87acfbcc-28
0.389
MAR-TRE-d3c2bf0e-12
0.389
MAR-TRE-87acfbcc-19
0.373
MAR-TRE-87acfbcc-8
0.352
MAR-TRE-87acfbcc-71
0.352
MAR-TRE-36bf7dba-47
0.350
MAR-TRE-87acfbcc-70
0.348
MAR-TRE-87acfbcc-62
0.333
MAR-TRE-87acfbcc-86
0.333
MAR-TRE-87acfbcc-72
0.329
MAR-TRE-87acfbcc-49
0.319
MAR-TRE-87acfbcc-48
0.319
MAR-TRE-87acfbcc-32
0.316
MAR-TRE-87acfbcc-61
0.312
MAR-TRE-87acfbcc-83
0.312
MAR-TRE-87acfbcc-37
0.301
MAR-TRE-87acfbcc-58
0.299
MAR-TRE-87acfbcc-90
0.292
MAR-TRE-87acfbcc-65
0.287
MAR-TRE-87acfbcc-6
0.286
MAR-TRE-87acfbcc-55
0.284
MAR-TRE-87acfbcc-100
0.276
MAR-TRE-87acfbcc-33
0.276
MAR-TRE-87acfbcc-26
0.275
MAR-TRE-87acfbcc-10
0.275
MAR-TRE-87acfbcc-69
0.274
MAR-TRE-87acfbcc-34
0.272
MAR-TRE-87acfbcc-45
0.267
MAR-TRE-87acfbcc-4
0.267
MAR-TRE-87acfbcc-14
0.266
MAR-TRE-87acfbcc-24
0.263
MAR-TRE-87acfbcc-29
0.261
MAR-TRE-87acfbcc-68
0.260
MAR-TRE-87acfbcc-76
0.260
BAR-COM-4e090d3a-52
0.258
MAR-TRE-8190bb11-93
0.256
MAR-TRE-87acfbcc-92
0.253
MAR-TRE-87acfbcc-30
0.253
MAR-TRE-87acfbcc-85
0.253
MAR-TRE-87acfbcc-93
0.253
MAR-TRE-85681e92-91
0.253
RAF-POL-950dada1-5
0.253
MAR-TRE-87acfbcc-23
0.253
MAR-TRE-423310b6-39
0.250
MAR-TRE-e82e6c98-100
0.250
MAR-TRE-85681e92-42
0.250
MAR-TRE-87acfbcc-89
0.250
MAR-TRE-87acfbcc-54
0.250
MAR-TRE-87acfbcc-98
0.250
MAR-TRE-87acfbcc-77
0.247
MAR-TRE-85681e92-88
0.247
MAR-TRE-87acfbcc-1
0.245
MAR-TRE-87acfbcc-3
0.244
MAR-TRE-4f39ef4a-54
0.244
MAR-TRE-423310b6-56
0.244
MAR-TRE-a78003aa-91
0.244
MAR-TRE-85681e92-70
0.244
MAR-TRE-423310b6-42
0.243
MAR-TRE-85681e92-57
0.243
MAR-TRE-66ac689e-48
0.241
MAR-TRE-87acfbcc-44
0.241
MAR-TRE-87acfbcc-42
0.241
MAR-TRE-87acfbcc-74
0.241
MAR-TRE-423310b6-24
0.241
MAR-TRE-85681e92-74
0.241
MAR-TRE-423310b6-72
0.240
MAR-TRE-87acfbcc-81
0.239
MAR-TRE-e82e6c98-20
0.238
MAR-TRE-4f781e27-24
0.238
MAR-TRE-87acfbcc-94
0.238