Molecular Properties | |
SMILES: | O=C(O)CN(Cc1ccccc1)c1cnc(CCl)[nH]1 |
MW: | 279.08 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 69.22 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-31
0.698
MAR-TRE-87acfbcc-96
0.623
MAR-TRE-87acfbcc-26
0.615
MAR-TRE-87acfbcc-74
0.500
MAR-TRE-423310b6-70
0.448
MAR-TRE-87acfbcc-69
0.435
MAR-TRE-87acfbcc-17
0.425
MAR-TRE-87acfbcc-6
0.418
MAR-TRE-87acfbcc-52
0.406
MAR-TRE-87acfbcc-66
0.397
MAR-TRE-87acfbcc-3
0.385
MAR-TRE-87acfbcc-77
0.378
MAR-TRE-87acfbcc-92
0.364
MAR-TRE-87acfbcc-27
0.352
MAR-TRE-87acfbcc-68
0.348
MAR-TRE-87acfbcc-64
0.347
MAR-TRE-87acfbcc-82
0.333
MAR-TRE-87acfbcc-24
0.329
MAR-TRE-87acfbcc-50
0.324
MAR-TRE-87acfbcc-71
0.314
MAR-TRE-87acfbcc-1
0.314
MAR-TRE-87acfbcc-35
0.307
MAR-TRE-87acfbcc-30
0.304
MAR-TRE-87acfbcc-19
0.303
MAR-TRE-87acfbcc-95
0.303
MAR-TRE-87acfbcc-49
0.300
MAR-TRE-87acfbcc-18
0.299
MAR-TRE-87acfbcc-23
0.296
MAR-TRE-87acfbcc-36
0.294
MAR-TRE-85681e92-81
0.288
MAR-TRE-87acfbcc-79
0.284
MAR-TRE-87acfbcc-20
0.282
MAR-TRE-87acfbcc-28
0.280
MAR-TRE-87acfbcc-62
0.278
MAR-LAB-efb042c5-6
0.278
MAR-TRE-87acfbcc-41
0.275
MAR-TRE-87acfbcc-76
0.274
MAR-TRE-85681e92-66
0.273
MAR-TRE-87acfbcc-38
0.271
MAR-TRE-87acfbcc-46
0.270
MAR-TRE-87acfbcc-21
0.270
MAR-TRE-87acfbcc-91
0.268
MAR-TRE-87acfbcc-40
0.267
MAR-TRE-87acfbcc-85
0.267
MAR-TRE-87acfbcc-25
0.266
MAR-TRE-87acfbcc-51
0.266
MAR-TRE-87acfbcc-7
0.264
MAR-TRE-87acfbcc-15
0.264
MAR-TRE-87acfbcc-48
0.264
MAR-TRE-87acfbcc-58
0.263
MAR-TRE-87acfbcc-2
0.263
MAR-TRE-423310b6-10
0.262
MAR-TRE-87acfbcc-12
0.261
MAR-TRE-87acfbcc-47
0.260
MAR-TRE-85681e92-59
0.259
MAR-TRE-87acfbcc-86
0.257
MAR-TRE-85681e92-98
0.256
MAR-TRE-87acfbcc-63
0.256
MAR-TRE-9d18ae8c-50
0.256
WIL-UNI-5578df48-8
0.253
MAR-TRE-92684b97-51
0.253
MAR-TRE-87acfbcc-13
0.250
MAR-TRE-87acfbcc-16
0.250
WIL-UNI-5578df48-3
0.247
GIA-UNK-3f36037a-5
0.247
MAR-TRE-87acfbcc-98
0.247
MAR-TRE-85681e92-77
0.246
IAN-BAS-5ff43d1c-1
0.244
MAT-POS-ea426761-98
0.244
MAR-TRE-66ac689e-34
0.244
MED-COV-4280ac29-25
0.244
MAR-TRE-4f781e27-28
0.244
MAR-TRE-87acfbcc-59
0.244
MAR-TRE-87acfbcc-9
0.244
MAR-TRE-87acfbcc-67
0.244
MAR-TRE-87acfbcc-22
0.244
MAK-UNK-af83ef51-2
0.244
MAR-TRE-87acfbcc-87
0.244
MAR-TRE-423310b6-13
0.244
MAR-TRE-87acfbcc-11
0.243
DRR-IMP-38dce17f-3
0.243
MAK-UNK-7c9d1431-24
0.243
MAK-UNK-f983951f-5
0.243
MAT-POS-b5746674-60
0.241
SAD-SAT-c989feaa-4
0.241
MAR-TRE-423310b6-76
0.239
MAK-UNK-f983951f-22
0.239
MAR-TRE-8190bb11-21
0.239
MAR-TRE-66ac689e-83
0.238
MAR-TRE-87acfbcc-44
0.237
MAR-TRE-87acfbcc-73
0.237
MAR-TRE-87acfbcc-42
0.237
MAK-UNK-10dfa458-39
0.237
MAK-UNK-7c9d1431-23
0.237
MAR-TRE-6a44bbf2-28
0.237
MAT-POS-b5746674-62
0.236
MIC-SGC-657978c3-1
0.235
MAK-UNK-f983951f-13
0.235
MAR-TRE-66ac689e-43
0.235
MAT-POS-b5746674-61
0.235