Molecular Properties | |
SMILES: | O=C(O)C(CCO)Nc1cnc(CCl)[nH]1 |
MW: | 233.06 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 98.24 |
cLogP: | 0.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-20
0.729
MAR-TRE-87acfbcc-21
0.686
MAR-TRE-87acfbcc-16
0.673
MAR-TRE-87acfbcc-41
0.667
MAR-TRE-87acfbcc-87
0.648
MAR-TRE-87acfbcc-9
0.648
MAR-TRE-87acfbcc-22
0.648
MAR-TRE-87acfbcc-67
0.648
MAR-TRE-87acfbcc-7
0.627
MAR-TRE-87acfbcc-15
0.627
MAR-TRE-87acfbcc-53
0.603
MAR-TRE-87acfbcc-79
0.592
MAR-TRE-87acfbcc-2
0.571
MAR-TRE-87acfbcc-51
0.559
MAR-TRE-87acfbcc-63
0.552
MAR-TRE-87acfbcc-36
0.538
MAR-TRE-87acfbcc-25
0.533
MAR-TRE-87acfbcc-38
0.528
MAR-TRE-87acfbcc-11
0.527
MAR-TRE-87acfbcc-59
0.516
MAR-TRE-87acfbcc-5
0.516
MAR-TRE-87acfbcc-47
0.500
MAR-TRE-87acfbcc-12
0.491
MAR-TRE-87acfbcc-97
0.484
MAR-TRE-87acfbcc-46
0.483
MAR-TRE-87acfbcc-50
0.483
MAR-TRE-87acfbcc-35
0.475
MAR-TRE-87acfbcc-28
0.467
MAR-TRE-87acfbcc-13
0.464
MAR-TRE-87acfbcc-99
0.453
MAR-TRE-87acfbcc-8
0.448
MAR-TRE-87acfbcc-19
0.444
MAR-TRE-423310b6-36
0.424
MAR-TRE-87acfbcc-95
0.422
MAR-TRE-87acfbcc-71
0.400
MAR-TRE-87acfbcc-70
0.397
MAR-TRE-87acfbcc-61
0.388
MAR-TRE-87acfbcc-49
0.383
MAR-TRE-87acfbcc-86
0.379
MAR-TRE-87acfbcc-62
0.377
MAR-TRE-87acfbcc-72
0.369
MAR-TRE-87acfbcc-48
0.361
MAR-TRE-87acfbcc-90
0.358
MAR-TRE-87acfbcc-58
0.354
MAR-TRE-87acfbcc-83
0.348
MAR-TRE-87acfbcc-37
0.339
MAR-TRE-87acfbcc-55
0.339
MAR-TRE-87acfbcc-32
0.333
MAR-TRE-87acfbcc-26
0.333
MAR-TRE-87acfbcc-100
0.328
MAR-TRE-87acfbcc-33
0.328
MAR-TRE-87acfbcc-34
0.319
MAR-TRE-87acfbcc-45
0.317
MAR-TRE-87acfbcc-4
0.317
MAR-TRE-87acfbcc-69
0.306
MAR-TRE-423310b6-72
0.306
MAR-TRE-87acfbcc-10
0.304
MAR-TRE-423310b6-24
0.303
MAR-TRE-87acfbcc-29
0.303
MAR-TRE-87acfbcc-93
0.299
MAR-TRE-87acfbcc-6
0.299
MAR-TRE-87acfbcc-89
0.297
MAR-TRE-87acfbcc-98
0.297
MAR-TRE-87acfbcc-14
0.294
MAR-TRE-423310b6-39
0.294
MAR-TRE-87acfbcc-54
0.294
MAR-TRE-423310b6-42
0.290
MAR-TRE-87acfbcc-68
0.288
MAR-TRE-87acfbcc-76
0.288
MAR-TRE-423310b6-56
0.286
MAR-TRE-423310b6-29
0.284
MAR-TRE-87acfbcc-65
0.282
MAR-TRE-87acfbcc-3
0.282
MAR-TRE-87acfbcc-42
0.282
MAR-TRE-87acfbcc-44
0.282
MAR-TRE-87acfbcc-74
0.282
MAR-TRE-87acfbcc-92
0.281
MAR-TRE-87acfbcc-85
0.279
MAR-TRE-423310b6-7
0.277
MAR-TRE-87acfbcc-23
0.276
MAR-TRE-87acfbcc-56
0.273
MAR-TRE-87acfbcc-24
0.271
MAR-TRE-85681e92-57
0.271
MAR-TRE-423310b6-9
0.269
MAR-TRE-87acfbcc-39
0.268
MAR-TRE-87acfbcc-1
0.265
MAR-TRE-87acfbcc-80
0.265
MAR-TRE-423310b6-82
0.265
MAR-TRE-423310b6-45
0.265
MAR-TRE-87acfbcc-73
0.264
MAR-TRE-85681e92-73
0.262
MAR-TRE-87acfbcc-30
0.262
MAR-TRE-423310b6-16
0.261
MAR-TRE-87acfbcc-94
0.260
MAR-TRE-87acfbcc-81
0.260
MAR-TRE-423310b6-57
0.258
MAR-TRE-87acfbcc-82
0.257
MAR-TRE-87acfbcc-27
0.257
MAR-TRE-87acfbcc-57
0.257
MAR-TRE-85681e92-88
0.254