Molecular Properties | |
SMILES: | O=C1CCC(CO)N1c1cnc(CCl)[nH]1 |
MW: | 229.06 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 69.22 |
cLogP: | 0.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-84
0.473
MAR-TRE-87acfbcc-80
0.438
MAR-TRE-87acfbcc-85
0.368
MAR-TRE-87acfbcc-43
0.348
MAR-TRE-87acfbcc-42
0.347
MAR-TRE-87acfbcc-56
0.343
MAR-TRE-87acfbcc-60
0.333
MAR-TRE-87acfbcc-75
0.325
MAR-TRE-87acfbcc-78
0.320
MAR-TRE-87acfbcc-88
0.314
MAR-TRE-87acfbcc-18
0.306
MAR-TRE-87acfbcc-100
0.282
MAR-TRE-87acfbcc-26
0.281
MAR-TRE-87acfbcc-79
0.273
MAR-TRE-87acfbcc-8
0.268
MAR-TRE-87acfbcc-69
0.261
MAR-TRE-87acfbcc-91
0.257
MAR-TRE-87acfbcc-92
0.257
MAR-TRE-87acfbcc-55
0.254
MAR-TRE-87acfbcc-49
0.254
MAR-TRE-87acfbcc-37
0.254
MAR-TRE-87acfbcc-2
0.253
MAR-TRE-87acfbcc-82
0.253
MAR-TRE-87acfbcc-12
0.250
MAR-TRE-87acfbcc-62
0.250
MAR-TRE-87acfbcc-68
0.247
MAR-TRE-87acfbcc-33
0.247
MAR-TRE-87acfbcc-36
0.246
MAR-TRE-87acfbcc-86
0.246
MAR-TRE-87acfbcc-41
0.246
MAR-TRE-87acfbcc-74
0.244
MAR-TRE-87acfbcc-46
0.243
MAR-TRE-85681e92-58
0.243
MAR-TRE-87acfbcc-38
0.243
MAR-TRE-87acfbcc-70
0.243
MAR-TRE-87acfbcc-13
0.239
MAR-TRE-87acfbcc-30
0.239
MAR-TRE-87acfbcc-90
0.238
MAR-TRE-87acfbcc-27
0.237
MAR-TRE-87acfbcc-28
0.237
MAR-TRE-87acfbcc-32
0.237
MAR-TRE-87acfbcc-48
0.236
MAR-TRE-87acfbcc-7
0.236
MAR-TRE-87acfbcc-20
0.236
MAR-TRE-87acfbcc-4
0.236
MAR-TRE-87acfbcc-15
0.236
MAR-TRE-87acfbcc-67
0.234
MAR-TRE-87acfbcc-87
0.234
MAR-TRE-87acfbcc-47
0.233
MAR-TRE-87acfbcc-11
0.233
MAR-TRE-87acfbcc-39
0.231
MAR-TRE-87acfbcc-10
0.231
MAR-TRE-87acfbcc-19
0.228
MAR-TRE-87acfbcc-34
0.228
MAR-TRE-87acfbcc-21
0.227
MAR-TRE-87acfbcc-50
0.227
MAR-TRE-87acfbcc-23
0.226
MAR-TRE-87acfbcc-25
0.225
MAR-TRE-87acfbcc-16
0.224
MAR-TRE-87acfbcc-6
0.224
MAR-TRE-87acfbcc-61
0.222
MAR-TRE-87acfbcc-54
0.221
MAR-TRE-87acfbcc-58
0.221
MAR-TRE-87acfbcc-5
0.220
MAR-TRE-87acfbcc-77
0.220
MAR-TRE-87acfbcc-45
0.219
MAR-TRE-87acfbcc-89
0.219
MAR-TRE-87acfbcc-24
0.218
MAR-TRE-87acfbcc-9
0.218
MAR-TRE-87acfbcc-22
0.218
MAR-TRE-87acfbcc-71
0.216
MAR-TRE-87acfbcc-40
0.216
MAR-TRE-87acfbcc-35
0.215
MAR-TRE-87acfbcc-63
0.215
MAR-TRE-87acfbcc-95
0.212
MAR-TRE-87acfbcc-44
0.212
NIM-UNI-0ea3b7bf-5
0.210
MAR-TRE-87acfbcc-51
0.210
MAR-TRE-87acfbcc-97
0.210
NIM-UNI-43fe0159-4
0.208
MAR-TRE-87acfbcc-66
0.208
MAR-TRE-87acfbcc-93
0.208
MAR-TRE-87acfbcc-99
0.207
MAR-TRE-87acfbcc-53
0.207
MAR-TRE-74c6519b-29
0.207
MAR-TRE-423310b6-77
0.205
MAR-TRE-87acfbcc-14
0.205
MAR-TRE-fffca54f-48
0.205
MAR-TRE-ebcc4ad6-13
0.205
MAR-TRE-87acfbcc-59
0.205
MAR-TRE-87acfbcc-65
0.205
MAR-TRE-87acfbcc-98
0.203
MAR-TRE-87acfbcc-64
0.203
MAR-TRE-87acfbcc-52
0.203
MAR-TRE-87acfbcc-72
0.203
WAR-XCH-b0339bbe-3
0.200
MAR-TRE-7f7bb9f0-54
0.198
MAR-TRE-87acfbcc-96
0.198
MAR-TRE-87acfbcc-76
0.197
MAR-TRE-fffca54f-38
0.195