Molecular Properties | |
SMILES: | CCC(C)C(Nc1cnc(CCl)[nH]1)C(=O)O |
MW: | 245.09 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 78.01 |
cLogP: | 2.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-36
0.708
MAR-TRE-87acfbcc-38
0.694
MAR-TRE-87acfbcc-41
0.608
MAR-TRE-87acfbcc-79
0.600
MAR-TRE-87acfbcc-35
0.586
MAR-TRE-87acfbcc-7
0.545
MAR-TRE-87acfbcc-20
0.545
MAR-TRE-87acfbcc-12
0.528
MAR-TRE-87acfbcc-13
0.527
MAR-TRE-87acfbcc-15
0.518
MAR-TRE-87acfbcc-21
0.517
MAR-TRE-87acfbcc-16
0.508
MAR-TRE-87acfbcc-91
0.500
MAR-TRE-87acfbcc-67
0.492
MAR-TRE-87acfbcc-9
0.492
MAR-TRE-87acfbcc-22
0.492
MAR-TRE-87acfbcc-11
0.483
MAR-TRE-87acfbcc-28
0.475
MAR-TRE-87acfbcc-25
0.469
MAR-TRE-87acfbcc-87
0.468
MAR-TRE-87acfbcc-50
0.467
MAR-TRE-87acfbcc-59
0.455
MAR-TRE-87acfbcc-95
0.453
MAR-TRE-87acfbcc-2
0.452
MAR-TRE-423310b6-83
0.450
MAR-TRE-87acfbcc-97
0.446
MAR-TRE-87acfbcc-46
0.443
MAR-TRE-87acfbcc-53
0.439
MAR-TRE-87acfbcc-63
0.438
MAR-TRE-87acfbcc-5
0.433
MAR-TRE-87acfbcc-19
0.431
MAR-TRE-87acfbcc-51
0.424
MAR-TRE-87acfbcc-99
0.418
MAR-TRE-87acfbcc-48
0.417
MAR-TRE-87acfbcc-86
0.414
MAR-TRE-87acfbcc-8
0.410
MAR-TRE-87acfbcc-72
0.400
MAR-TRE-87acfbcc-71
0.387
MAR-TRE-87acfbcc-70
0.383
MAR-TRE-87acfbcc-61
0.377
MAR-TRE-87acfbcc-83
0.377
MAR-TRE-87acfbcc-49
0.371
MAR-TRE-87acfbcc-55
0.371
MAR-TRE-87acfbcc-62
0.365
MAR-TRE-87acfbcc-32
0.364
MAR-TRE-87acfbcc-37
0.349
MAR-TRE-87acfbcc-29
0.347
MAR-TRE-87acfbcc-90
0.345
MAR-TRE-87acfbcc-58
0.343
MAR-TRE-87acfbcc-69
0.339
MAR-TRE-87acfbcc-33
0.338
MAR-TRE-87acfbcc-68
0.338
MAR-TRE-423310b6-54
0.333
MAR-TRE-87acfbcc-6
0.328
MAR-TRE-423310b6-49
0.328
MAR-TRE-87acfbcc-65
0.325
MAR-TRE-87acfbcc-82
0.324
MAR-TRE-87acfbcc-27
0.324
MAR-TRE-87acfbcc-26
0.322
MAR-TRE-87acfbcc-1
0.321
MAR-TRE-87acfbcc-100
0.318
MAR-TRE-87acfbcc-92
0.312
MAR-TRE-85681e92-92
0.310
MAR-TRE-87acfbcc-34
0.310
MAR-TRE-87acfbcc-93
0.309
MAR-TRE-87acfbcc-3
0.308
MAR-TRE-87acfbcc-4
0.308
MAR-TRE-87acfbcc-98
0.308
MAR-TRE-87acfbcc-94
0.306
MAR-TRE-87acfbcc-24
0.300
MAR-TRE-87acfbcc-76
0.299
MAR-TRE-87acfbcc-77
0.297
MAR-TRE-87acfbcc-10
0.296
MAR-TRE-87acfbcc-44
0.292
MAR-TRE-87acfbcc-89
0.288
MAR-TRE-87acfbcc-45
0.288
MAR-TRE-87acfbcc-54
0.286
MAR-TRE-87acfbcc-14
0.286
MAR-TRE-87acfbcc-81
0.286
MAR-TRE-a78003aa-91
0.279
MAR-TRE-87acfbcc-31
0.278
MAR-TRE-87acfbcc-74
0.274
MAR-TRE-87acfbcc-73
0.274
MAR-TRE-87acfbcc-85
0.271
MAR-TRE-423310b6-23
0.271
MAR-TRE-87acfbcc-23
0.269
MAR-TRE-a78003aa-27
0.269
MAR-TRE-a78003aa-67
0.268
MAR-TRE-9d18ae8c-80
0.266
MAR-TRE-423310b6-22
0.265
MAR-TRE-a78003aa-66
0.264
MAR-TRE-423310b6-42
0.262
MAR-TRE-87acfbcc-39
0.260
MAR-TRE-423310b6-72
0.258
MAR-TRE-423310b6-82
0.257
MAR-TRE-87acfbcc-80
0.257
MAR-TRE-87acfbcc-42
0.257
MAR-TRE-87acfbcc-40
0.256
MAR-TRE-87acfbcc-30
0.254
MAR-TRE-a78003aa-43
0.250