Molecular Properties | |
SMILES: | O=C1OCCC1Nc1cnc(CCl)[nH]1 |
MW: | 215.05 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 67.01 |
cLogP: | 0.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-87acfbcc-79
0.350
MAR-TRE-87acfbcc-37
0.344
MAR-TRE-87acfbcc-90
0.339
MAR-TRE-87acfbcc-36
0.339
MAR-TRE-87acfbcc-41
0.339
MAR-TRE-87acfbcc-38
0.333
MAR-TRE-87acfbcc-46
0.328
MAR-TRE-87acfbcc-91
0.328
MAR-TRE-87acfbcc-7
0.323
MAR-TRE-87acfbcc-20
0.323
MAR-TRE-87acfbcc-49
0.323
MAR-TRE-87acfbcc-15
0.323
MAR-TRE-87acfbcc-12
0.323
MAR-TRE-87acfbcc-11
0.318
MAR-TRE-87acfbcc-47
0.318
MAR-TRE-87acfbcc-62
0.318
MAR-TRE-87acfbcc-86
0.317
MAR-TRE-87acfbcc-67
0.314
MAR-TRE-87acfbcc-87
0.314
MAR-TRE-87acfbcc-21
0.309
MAR-TRE-87acfbcc-50
0.309
MAR-TRE-87acfbcc-13
0.308
MAR-TRE-87acfbcc-19
0.306
MAR-TRE-87acfbcc-16
0.304
MAR-TRE-87acfbcc-55
0.303
MAR-TRE-87acfbcc-48
0.303
MAR-TRE-87acfbcc-2
0.300
MAR-TRE-87acfbcc-58
0.300
MAR-TRE-87acfbcc-28
0.300
MAR-TRE-87acfbcc-71
0.299
MAR-TRE-87acfbcc-8
0.299
MAR-TRE-87acfbcc-9
0.296
MAR-TRE-87acfbcc-22
0.296
MAR-TRE-87acfbcc-33
0.294
MAR-TRE-87acfbcc-70
0.292
MAR-TRE-87acfbcc-35
0.292
MAR-TRE-87acfbcc-63
0.292
MAR-TRE-87acfbcc-95
0.288
MAR-TRE-87acfbcc-85
0.286
MAR-TRE-87acfbcc-51
0.284
MAR-TRE-87acfbcc-25
0.284
MAR-TRE-87acfbcc-4
0.284
MAR-TRE-87acfbcc-45
0.284
MAR-TRE-87acfbcc-89
0.284
MAR-TRE-87acfbcc-98
0.284
MAR-TRE-87acfbcc-57
0.282
MAR-TRE-87acfbcc-32
0.282
MAR-TRE-87acfbcc-99
0.280
MAR-TRE-87acfbcc-53
0.280
MAR-TRE-87acfbcc-61
0.280
MAR-TRE-87acfbcc-5
0.276
MAR-TRE-87acfbcc-59
0.276
MAR-TRE-87acfbcc-76
0.275
MAR-TRE-87acfbcc-26
0.274
MAR-TRE-87acfbcc-10
0.274
MAR-TRE-87acfbcc-69
0.273
MAR-TRE-87acfbcc-80
0.271
MAR-TRE-87acfbcc-73
0.270
MAR-TRE-87acfbcc-34
0.270
MAR-TRE-87acfbcc-44
0.270
MAR-TRE-87acfbcc-75
0.269
MAR-TRE-87acfbcc-93
0.268
MAR-TRE-87acfbcc-97
0.267
MAR-TRE-87acfbcc-54
0.264
MAR-TRE-87acfbcc-14
0.264
MAR-TRE-87acfbcc-56
0.261
MAR-TRE-87acfbcc-72
0.260
MAR-TRE-87acfbcc-60
0.257
MAR-TRE-87acfbcc-3
0.256
MAR-TRE-87acfbcc-74
0.253
MAR-TRE-87acfbcc-42
0.253
MAR-TRE-87acfbcc-92
0.250
MAR-TRE-87acfbcc-6
0.250
MAR-TRE-87acfbcc-30
0.250
MAR-TRE-87acfbcc-43
0.250
MAR-TRE-87acfbcc-94
0.250
MAR-TRE-87acfbcc-83
0.247
MAR-TRE-87acfbcc-27
0.247
MAR-TRE-87acfbcc-82
0.247
YOI-UNK-4c10088f-1
0.246
MAR-TRE-87acfbcc-29
0.244
MAR-TRE-87acfbcc-18
0.241
MAR-TRE-87acfbcc-1
0.241
MAR-TRE-87acfbcc-65
0.241
MAR-TRE-87acfbcc-68
0.239
MAR-TRE-87acfbcc-88
0.236
MAR-TRE-87acfbcc-81
0.235
MAR-TRE-87acfbcc-84
0.233
JUL-TUD-06b2044f-134
0.230
MAR-TRE-87acfbcc-77
0.228
MAR-TRE-87acfbcc-24
0.227
MAR-TRE-87acfbcc-39
0.224
MAT-POS-162a9720-6
0.219
RED-RED-10c9212c-57
0.218
MAR-TRE-87acfbcc-52
0.211
MAR-TRE-87acfbcc-64
0.211
LAU-MED-88a3970a-4
0.210
LAU-MED-88a3970a-3
0.210
DAR-DIA-0587064e-20
0.209
MAR-TRE-c8530538-49
0.207