Molecular Properties | |
SMILES: | CNCC(Oc1csc(CCl)n1)c1ccc(O)c(OC)c1 |
MW: | 328.06 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 63.61 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-36bf7dba-88
0.721
MAR-TRE-36bf7dba-65
0.566
MAR-TRE-36bf7dba-57
0.425
MAR-TRE-36bf7dba-93
0.425
MAR-TRE-36bf7dba-59
0.418
MAR-TRE-36bf7dba-52
0.417
MAR-TRE-36bf7dba-78
0.405
MAR-TRE-36bf7dba-79
0.377
MAR-TRE-36bf7dba-48
0.364
MAR-TRE-36bf7dba-37
0.361
MAR-TRE-36bf7dba-30
0.354
MAR-TRE-36bf7dba-62
0.350
MAR-TRE-36bf7dba-35
0.345
MAR-TRE-36bf7dba-69
0.342
MAR-TRE-36bf7dba-44
0.330
MAR-TRE-36bf7dba-71
0.330
MAR-TRE-36bf7dba-90
0.329
MAR-TRE-36bf7dba-56
0.326
MAR-TRE-36bf7dba-34
0.325
MAR-TRE-36bf7dba-55
0.322
MAR-TRE-36bf7dba-14
0.318
MAR-TRE-36bf7dba-89
0.317
MAR-TRE-423310b6-74
0.315
MAR-TRE-36bf7dba-36
0.313
MAR-TRE-36bf7dba-58
0.311
MAR-TRE-36bf7dba-1
0.310
MAR-TRE-36bf7dba-67
0.310
MAR-TRE-36bf7dba-97
0.309
MAR-TRE-36bf7dba-84
0.307
MAR-TRE-36bf7dba-23
0.305
MAR-TRE-36bf7dba-76
0.303
MAR-TRE-36bf7dba-31
0.301
MAR-TRE-36bf7dba-53
0.301
MAR-TRE-36bf7dba-54
0.300
MAR-TRE-4f39ef4a-39
0.300
MAR-TRE-36bf7dba-46
0.298
MAR-TRE-36bf7dba-91
0.296
MAR-TRE-36bf7dba-43
0.296
MAR-TRE-36bf7dba-15
0.292
MAR-TRE-36bf7dba-22
0.291
MAR-TRE-36bf7dba-21
0.290
MAR-TRE-36bf7dba-47
0.289
MAR-TRE-36bf7dba-26
0.288
MAR-TRE-36bf7dba-40
0.284
MAR-TRE-36bf7dba-11
0.283
MAR-TRE-36bf7dba-51
0.282
MAR-TRE-36bf7dba-74
0.281
MAR-TRE-36bf7dba-98
0.281
MAR-TRE-36bf7dba-99
0.280
MAR-TRE-36bf7dba-27
0.280
MAR-TRE-36bf7dba-41
0.279
MAR-TRE-36bf7dba-9
0.277
MAR-TRE-36bf7dba-68
0.275
MAR-TRE-36bf7dba-12
0.274
MAR-TRE-36bf7dba-86
0.272
MAR-TRE-36bf7dba-2
0.272
MAR-TRE-36bf7dba-49
0.272
MAR-TRE-36bf7dba-66
0.271
MAR-TRE-36bf7dba-4
0.271
MAR-TRE-36bf7dba-83
0.270
MAR-TRE-36bf7dba-75
0.268
MAR-TRE-36bf7dba-72
0.267
MAR-TRE-36bf7dba-81
0.265
MAR-TRE-36bf7dba-60
0.264
MAR-TRE-36bf7dba-87
0.264
MAR-TRE-36bf7dba-19
0.264
MAR-TRE-36bf7dba-29
0.264
MAR-TRE-36bf7dba-94
0.264
MAR-TRE-36bf7dba-6
0.263
MAR-TRE-36bf7dba-20
0.262
MAR-TRE-36bf7dba-28
0.261
MAR-TRE-36bf7dba-7
0.259
MAR-TRE-e86a56b5-52
0.259
MAR-TRE-36bf7dba-8
0.259
MAR-TRE-36bf7dba-39
0.258
MAR-TRE-87acfbcc-81
0.258
MAR-TRE-36bf7dba-50
0.256
MAR-TRE-36bf7dba-25
0.256
MAR-TRE-36bf7dba-95
0.256
MAR-TRE-36bf7dba-70
0.253
MAR-TRE-36bf7dba-96
0.253
MAR-TRE-36bf7dba-64
0.253
MAR-TRE-36bf7dba-5
0.250
MAR-TRE-36bf7dba-42
0.247
MAR-TRE-36bf7dba-3
0.247
MAR-TRE-36bf7dba-33
0.244
MAR-TRE-36bf7dba-82
0.240
MAR-TRE-36bf7dba-63
0.240
MAR-TRE-36bf7dba-80
0.239
MAR-TRE-36bf7dba-38
0.237
MAR-TRE-36bf7dba-100
0.236
MAR-TRE-d3c2bf0e-66
0.233
MAR-TRE-36bf7dba-85
0.232
MAR-TRE-aca67d11-4
0.231
MAR-TRE-66ac689e-87
0.224
MAR-TRE-36bf7dba-45
0.223
MAR-LAB-efb042c5-3
0.223
MAR-TRE-e86a56b5-41
0.221
MAR-TRE-36bf7dba-77
0.220
MAR-TRE-36bf7dba-10
0.219