Molecular Properties | |
SMILES: | O=C(O)C1C(O)CCN1c1cnc(CCl)[nH]1 |
MW: | 245.06 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 89.45 |
cLogP: | 0.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-42
0.548
MAR-TRE-87acfbcc-80
0.468
MAR-TRE-87acfbcc-60
0.418
MAR-TRE-87acfbcc-18
0.410
MAR-TRE-87acfbcc-43
0.373
MAR-TRE-87acfbcc-57
0.368
MAR-TRE-87acfbcc-56
0.348
MAR-TRE-87acfbcc-26
0.328
MAR-TRE-87acfbcc-78
0.324
MAR-TRE-87acfbcc-88
0.319
MAR-TRE-87acfbcc-84
0.317
MAR-TRE-87acfbcc-75
0.312
MAR-TRE-87acfbcc-69
0.303
MAR-TRE-87acfbcc-79
0.297
MAR-TRE-87acfbcc-20
0.294
MAR-TRE-87acfbcc-49
0.294
MAR-TRE-87acfbcc-2
0.292
MAR-TRE-87acfbcc-62
0.290
MAR-TRE-87acfbcc-61
0.289
MAR-TRE-87acfbcc-86
0.288
MAR-TRE-87acfbcc-41
0.288
MAR-TRE-87acfbcc-36
0.288
MAR-TRE-87acfbcc-100
0.286
MAR-TRE-87acfbcc-38
0.284
MAR-TRE-87acfbcc-46
0.282
MAR-TRE-87acfbcc-91
0.279
MAR-TRE-87acfbcc-92
0.279
MAR-TRE-87acfbcc-15
0.275
MAR-TRE-87acfbcc-7
0.275
MAR-TRE-87acfbcc-48
0.275
MAR-TRE-87acfbcc-55
0.275
MAR-TRE-87acfbcc-58
0.274
MAR-TRE-87acfbcc-12
0.273
MAR-TRE-87acfbcc-47
0.271
MAR-TRE-87acfbcc-87
0.270
MAR-TRE-87acfbcc-67
0.270
MAR-TRE-87acfbcc-77
0.269
MAR-TRE-87acfbcc-39
0.267
MAR-TRE-87acfbcc-21
0.264
MAR-TRE-87acfbcc-50
0.264
MAR-TRE-87acfbcc-74
0.263
MAR-TRE-87acfbcc-19
0.263
MAR-TRE-87acfbcc-90
0.262
MAR-TRE-87acfbcc-13
0.261
MAR-TRE-87acfbcc-6
0.260
MAR-TRE-87acfbcc-16
0.260
MAR-TRE-87acfbcc-23
0.259
MAR-TRE-87acfbcc-28
0.257
MAR-TRE-423310b6-77
0.257
MAR-TRE-87acfbcc-32
0.257
MAR-TRE-87acfbcc-82
0.257
MAR-TRE-87acfbcc-11
0.254
MAR-TRE-87acfbcc-22
0.253
MAR-TRE-87acfbcc-9
0.253
MAR-TRE-87acfbcc-5
0.253
MAK-UNK-b1d4dcd7-5
0.253
MAR-TRE-87acfbcc-63
0.250
MAR-TRE-87acfbcc-35
0.250
MAR-TRE-87acfbcc-33
0.250
MAR-TRE-87acfbcc-68
0.250
MAR-TRE-87acfbcc-95
0.247
MAR-TRE-87acfbcc-25
0.244
MAR-TRE-87acfbcc-51
0.244
MAR-TRE-87acfbcc-93
0.243
MAR-TRE-87acfbcc-53
0.241
MAR-TRE-87acfbcc-27
0.240
MAR-TRE-87acfbcc-98
0.239
MAR-TRE-87acfbcc-4
0.239
MAR-TRE-87acfbcc-37
0.239
MAR-TRE-87acfbcc-45
0.239
MAR-TRE-87acfbcc-89
0.239
MAR-TRE-87acfbcc-29
0.238
MAR-TRE-87acfbcc-31
0.238
VIK-SYN-9a3d118a-8
0.237
MAR-TRE-87acfbcc-59
0.237
MAR-TRE-87acfbcc-24
0.237
MAR-TRE-87acfbcc-52
0.237
MAR-TRE-87acfbcc-8
0.236
MAR-TRE-87acfbcc-71
0.236
MAR-TRE-87acfbcc-10
0.234
WAR-XCH-b0339bbe-3
0.230
MAR-TRE-87acfbcc-70
0.229
JOH-UNI-abdb2f0c-3
0.228
MAR-TRE-87acfbcc-97
0.228
MAK-UNK-6c8f5f75-1
0.226
MAR-TRE-87acfbcc-30
0.225
MAR-TRE-87acfbcc-83
0.225
MAR-TRE-87acfbcc-99
0.225
MAR-TRE-87acfbcc-54
0.224
GIA-UNK-a79af1bc-1
0.224
SAD-SAT-5b1897b2-1
0.222
GIA-UNK-5ec6c2b8-5
0.222
MAR-TRE-67513f76-65
0.222
MAR-TRE-87acfbcc-65
0.221
MAR-TRE-87acfbcc-3
0.221
MAR-TRE-87acfbcc-72
0.221
YOI-UNK-4c10088f-1
0.221
MAK-UNK-6ca90168-11
0.219
VIK-SYN-9a3d118a-4
0.217
VIK-SYN-bf9c9ac8-7
0.217