Molecular Properties | |
SMILES: | O=C(O)C(CO)Nc1c[nH]nc1CCl |
MW: | 219.04 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 98.24 |
cLogP: | 0.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-423310b6-42
0.756
MAR-TRE-423310b6-7
0.745
MAR-TRE-423310b6-36
0.729
MAR-TRE-423310b6-73
0.723
MAR-TRE-423310b6-57
0.708
MAR-TRE-423310b6-16
0.686
MAR-TRE-423310b6-9
0.680
MAR-TRE-423310b6-82
0.667
MAR-TRE-423310b6-45
0.667
MAR-TRE-423310b6-88
0.667
MAR-TRE-423310b6-24
0.667
MAR-TRE-423310b6-29
0.667
MAR-TRE-423310b6-39
0.642
MAR-TRE-423310b6-53
0.618
MAR-TRE-423310b6-56
0.618
MAR-TRE-423310b6-31
0.596
MAR-TRE-423310b6-54
0.588
MAR-TRE-423310b6-49
0.577
MAR-TRE-423310b6-83
0.556
MAR-TRE-423310b6-26
0.538
MAR-TRE-423310b6-27
0.525
MAR-TRE-423310b6-21
0.517
MAR-TRE-423310b6-22
0.509
MAR-TRE-423310b6-68
0.508
MAR-TRE-423310b6-62
0.500
MAR-TRE-423310b6-23
0.483
MAR-TRE-423310b6-71
0.456
MAR-TRE-423310b6-89
0.436
MAR-TRE-423310b6-17
0.424
MAR-TRE-423310b6-85
0.419
MAR-TRE-423310b6-41
0.406
MAR-TRE-423310b6-19
0.400
MAR-TRE-423310b6-40
0.400
MAR-TRE-423310b6-87
0.393
MAR-TRE-423310b6-47
0.388
MAR-TRE-423310b6-94
0.387
MAR-TRE-423310b6-69
0.383
MAR-TRE-423310b6-60
0.381
MAR-TRE-423310b6-32
0.375
MAR-TRE-423310b6-55
0.368
MAR-TRE-423310b6-14
0.365
MAR-TRE-423310b6-91
0.361
MAR-TRE-423310b6-15
0.350
MAR-TRE-423310b6-20
0.349
MAR-TRE-423310b6-33
0.339
MAR-TRE-423310b6-86
0.339
MAR-TRE-423310b6-8
0.339
MAR-TRE-423310b6-59
0.333
MAR-TRE-423310b6-25
0.333
MAR-TRE-423310b6-58
0.328
MAR-TRE-423310b6-67
0.324
MAR-TRE-423310b6-50
0.323
MAR-TRE-423310b6-28
0.323
MAR-TRE-423310b6-81
0.317
MAR-TRE-423310b6-76
0.317
MAR-TRE-423310b6-13
0.313
MAR-TRE-423310b6-65
0.312
MAR-TRE-423310b6-46
0.308
MAR-TRE-87acfbcc-91
0.306
MAR-TRE-423310b6-30
0.300
MAR-TRE-423310b6-77
0.299
MAR-TRE-85681e92-57
0.298
MAR-TRE-87acfbcc-41
0.295
MAR-TRE-423310b6-75
0.294
MAR-TRE-a78003aa-91
0.292
MAR-TRE-a78003aa-12
0.292
MAR-TRE-423310b6-92
0.292
MAR-TRE-423310b6-93
0.290
MAR-TRE-423310b6-64
0.290
MAR-TRE-87acfbcc-21
0.288
MAR-TRE-87acfbcc-79
0.283
MAR-TRE-87acfbcc-15
0.281
MAR-TRE-a78003aa-27
0.281
MAR-TRE-87acfbcc-20
0.281
MAR-TRE-87acfbcc-7
0.281
MAR-TRE-85681e92-88
0.279
MAR-TRE-423310b6-51
0.279
MAR-TRE-87acfbcc-22
0.275
MAR-TRE-423310b6-70
0.275
MAR-TRE-87acfbcc-67
0.275
MAR-TRE-87acfbcc-87
0.275
MAR-TRE-423310b6-18
0.274
MAR-TRE-423310b6-61
0.274
MAR-TRE-87acfbcc-63
0.271
MAR-TRE-fd17a9b8-75
0.270
MAR-TRE-423310b6-80
0.269
MAR-TRE-85681e92-73
0.267
MAR-TRE-a78003aa-30
0.266
MAR-TRE-87acfbcc-16
0.265
MAR-TRE-87acfbcc-25
0.264
MAR-TRE-423310b6-66
0.264
MAR-TRE-87acfbcc-2
0.261
MAR-TRE-87acfbcc-53
0.260
MAR-TRE-423310b6-10
0.260
MAR-TRE-87acfbcc-47
0.258
MAR-TRE-87acfbcc-9
0.257
MAR-TRE-87acfbcc-36
0.254
MAR-TRE-423310b6-35
0.254
MAR-TRE-a78003aa-16
0.254
MAR-TRE-423310b6-48
0.254