Molecular Properties | |
SMILES: | O=C(O)CNCCN(CC(=O)O)c1cnc(CCl)[nH]1 |
MW: | 290.08 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 9 |
TPSA: | 118.55 |
cLogP: | -0.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
too many COOH groups (>1)
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-26
0.604
MAR-TRE-87acfbcc-39
0.500
MAR-TRE-423310b6-13
0.463
MAR-TRE-87acfbcc-69
0.429
MAR-TRE-87acfbcc-6
0.412
MAR-TRE-87acfbcc-64
0.400
MAR-TRE-87acfbcc-31
0.385
MAR-TRE-87acfbcc-68
0.382
MAR-TRE-87acfbcc-92
0.379
MAR-TRE-87acfbcc-24
0.361
MAR-TRE-87acfbcc-77
0.355
MAR-TRE-87acfbcc-96
0.351
MAR-TRE-87acfbcc-62
0.348
MAR-TRE-87acfbcc-27
0.347
MAR-TRE-87acfbcc-30
0.338
MAR-TRE-87acfbcc-49
0.333
MAR-TRE-87acfbcc-3
0.329
MAR-TRE-87acfbcc-82
0.329
MAR-TRE-87acfbcc-23
0.325
MAR-TRE-87acfbcc-52
0.324
MAR-TRE-87acfbcc-17
0.312
MAR-TRE-87acfbcc-58
0.311
MAR-TRE-87acfbcc-46
0.301
MAR-TRE-87acfbcc-79
0.299
MAR-TRE-87acfbcc-20
0.296
MAR-TRE-87acfbcc-36
0.290
MAR-TRE-87acfbcc-86
0.290
MAR-TRE-87acfbcc-41
0.290
MAR-TRE-87acfbcc-38
0.286
MAR-TRE-87acfbcc-21
0.284
MAR-TRE-85681e92-81
0.283
MAR-TRE-87acfbcc-91
0.282
MAR-TRE-87acfbcc-1
0.281
MAR-TRE-87acfbcc-66
0.280
MAR-TRE-87acfbcc-25
0.278
MAR-TRE-87acfbcc-37
0.278
MAR-TRE-87acfbcc-7
0.278
MAR-TRE-87acfbcc-15
0.278
MAR-TRE-87acfbcc-32
0.276
MAR-TRE-87acfbcc-28
0.276
MAR-TRE-87acfbcc-2
0.276
MAR-TRE-87acfbcc-12
0.275
MAR-TRE-87acfbcc-61
0.275
MAR-TRE-87acfbcc-47
0.274
MAR-TRE-423310b6-17
0.270
MAR-TRE-87acfbcc-63
0.269
MAR-TRE-87acfbcc-50
0.267
MAR-TRE-87acfbcc-90
0.266
MAR-TRE-87acfbcc-13
0.264
MAR-TRE-87acfbcc-85
0.263
MAR-TRE-87acfbcc-16
0.263
MAR-TRE-87acfbcc-51
0.263
MAR-TRE-87acfbcc-48
0.260
MAR-TRE-87acfbcc-55
0.260
MAR-TRE-36bf7dba-31
0.260
MAR-TRE-87acfbcc-53
0.259
MAR-TRE-87acfbcc-11
0.257
MAR-TRE-87acfbcc-22
0.256
MAR-TRE-87acfbcc-67
0.256
MAR-TRE-87acfbcc-9
0.256
MAR-TRE-87acfbcc-87
0.256
MAR-TRE-87acfbcc-59
0.256
MAR-TRE-423310b6-76
0.254
MAR-TRE-423310b6-89
0.254
MAR-TRE-87acfbcc-100
0.253
MAR-TRE-87acfbcc-35
0.253
MAR-TRE-87acfbcc-65
0.253
MAR-TRE-87acfbcc-19
0.250
MAR-TRE-87acfbcc-40
0.250
MAR-TRE-87acfbcc-95
0.250
MAR-TRE-87acfbcc-99
0.244
MAR-TRE-87acfbcc-57
0.244
MAR-TRE-87acfbcc-54
0.244
MAR-TRE-87acfbcc-45
0.243
MAR-TRE-87acfbcc-4
0.243
MAR-TRE-87acfbcc-5
0.241
MAR-TRE-423310b6-70
0.241
MAR-TRE-87acfbcc-71
0.240
MAR-TRE-423310b6-64
0.237
MAR-TRE-87acfbcc-33
0.237
MAR-TRE-423310b6-40
0.237
MAR-TRE-87acfbcc-44
0.235
MAR-TRE-423310b6-41
0.235
MAR-TRE-87acfbcc-42
0.235
MAR-TRE-36bf7dba-97
0.234
MAR-TRE-423310b6-20
0.234
MAR-TRE-87acfbcc-97
0.232
MAR-TRE-423310b6-94
0.231
MAR-TRE-423310b6-60
0.228
MAR-TRE-87acfbcc-89
0.227
MAR-TRE-87acfbcc-18
0.226
MAR-TRE-85681e92-61
0.225
MAR-TRE-423310b6-32
0.225
MAR-TRE-85681e92-77
0.224
MAR-TRE-87acfbcc-8
0.224
MAR-TRE-423310b6-71
0.224
MAR-TRE-6a44bbf2-81
0.224
MAR-TRE-87acfbcc-10
0.222
MAR-TRE-85681e92-22
0.222
MAR-TRE-85681e92-98
0.222