Molecular Properties | |
SMILES: | O=C(O)CN(CC(=O)O)c1cnc(CCl)[nH]1 |
MW: | 247.04 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 106.52 |
cLogP: | 0.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
too many COOH groups (>1)
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-39
0.615
MAR-TRE-87acfbcc-74
0.604
MAR-TRE-87acfbcc-69
0.562
MAR-TRE-87acfbcc-6
0.500
MAR-TRE-87acfbcc-92
0.462
MAR-TRE-87acfbcc-31
0.453
MAR-TRE-87acfbcc-77
0.443
MAR-TRE-87acfbcc-82
0.439
MAR-TRE-87acfbcc-68
0.436
MAR-TRE-87acfbcc-96
0.417
MAR-TRE-87acfbcc-27
0.414
MAR-TRE-87acfbcc-24
0.407
MAR-TRE-87acfbcc-64
0.407
MAR-TRE-87acfbcc-3
0.403
MAR-TRE-87acfbcc-52
0.383
MAR-TRE-87acfbcc-30
0.382
MAR-TRE-85681e92-81
0.378
MAR-TRE-87acfbcc-17
0.364
MAR-TRE-87acfbcc-79
0.358
MAR-TRE-87acfbcc-23
0.358
MAR-TRE-87acfbcc-20
0.351
MAR-TRE-87acfbcc-49
0.351
MAR-TRE-87acfbcc-66
0.350
MAR-TRE-87acfbcc-36
0.345
MAR-TRE-87acfbcc-41
0.345
MAR-TRE-87acfbcc-62
0.345
MAR-TRE-87acfbcc-38
0.339
MAR-TRE-87acfbcc-21
0.333
MAR-TRE-87acfbcc-46
0.333
MAR-TRE-87acfbcc-91
0.333
MAR-TRE-87acfbcc-85
0.328
MAR-TRE-87acfbcc-7
0.328
MAR-TRE-87acfbcc-15
0.328
MAR-TRE-87acfbcc-12
0.327
MAR-TRE-87acfbcc-2
0.323
MAR-TRE-87acfbcc-58
0.323
MAR-TRE-87acfbcc-47
0.322
MAR-TRE-87acfbcc-86
0.321
MAR-TRE-87acfbcc-1
0.320
MAR-TRE-87acfbcc-63
0.312
MAR-TRE-87acfbcc-50
0.311
MAR-TRE-87acfbcc-13
0.310
MAR-TRE-87acfbcc-16
0.306
MAR-TRE-87acfbcc-48
0.305
MAR-TRE-87acfbcc-25
0.303
MAR-TRE-87acfbcc-28
0.302
MAR-TRE-87acfbcc-11
0.300
MAR-TRE-423310b6-76
0.298
MAR-TRE-87acfbcc-67
0.297
MAR-TRE-87acfbcc-9
0.297
MAR-TRE-87acfbcc-22
0.297
MAR-TRE-87acfbcc-87
0.297
MAR-TRE-87acfbcc-90
0.294
MAR-TRE-87acfbcc-35
0.292
MAR-TRE-85681e92-77
0.288
MAR-TRE-87acfbcc-19
0.288
MAR-TRE-87acfbcc-95
0.288
MAR-TRE-87acfbcc-42
0.288
MAR-TRE-87acfbcc-40
0.284
MAR-TRE-87acfbcc-51
0.284
MAR-TRE-87acfbcc-55
0.283
MAR-TRE-87acfbcc-32
0.281
MAR-TRE-87acfbcc-57
0.281
MAR-TRE-87acfbcc-99
0.279
MAR-TRE-87acfbcc-53
0.279
MAR-TRE-87acfbcc-61
0.279
MAR-TRE-87acfbcc-71
0.279
MAR-TRE-423310b6-70
0.277
MAR-TRE-423310b6-13
0.277
MAR-TRE-87acfbcc-5
0.275
MAR-TRE-87acfbcc-59
0.275
MAR-TRE-87acfbcc-100
0.274
MAR-TRE-85681e92-98
0.273
MAR-TRE-87acfbcc-97
0.265
MAR-TRE-87acfbcc-4
0.262
MAR-TRE-87acfbcc-89
0.262
MAR-TRE-87acfbcc-37
0.262
MAR-TRE-87acfbcc-54
0.262
MAR-TRE-85681e92-22
0.259
MAR-TRE-87acfbcc-8
0.258
MAR-TRE-87acfbcc-56
0.258
MAR-TRE-87acfbcc-33
0.254
MAR-TRE-87acfbcc-10
0.254
MAR-TRE-87acfbcc-80
0.250
MAR-TRE-87acfbcc-88
0.250
MAR-TRE-87acfbcc-70
0.250
MAR-TRE-423310b6-20
0.250
MAR-TRE-87acfbcc-93
0.246
MAR-TRE-85681e92-65
0.246
MAR-TRE-87acfbcc-84
0.244
MAR-TRE-87acfbcc-14
0.242
MAR-TRE-87acfbcc-45
0.242
MAR-TRE-87acfbcc-98
0.242
MAR-TRE-87acfbcc-29
0.240
MAR-TRE-87acfbcc-72
0.239
MAR-TRE-423310b6-71
0.238
MAR-TRE-87acfbcc-18
0.237
MAR-TRE-87acfbcc-65
0.237
MAR-TRE-423310b6-79
0.236
MAR-TRE-87acfbcc-76
0.234