Molecular Properties | |
SMILES: | O=C(O)C1C2CC2CN1c1cnc(CCl)[nH]1 |
MW: | 241.06 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 69.22 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-85
0.548
MAR-TRE-87acfbcc-80
0.418
MAR-TRE-87acfbcc-18
0.373
MAR-TRE-87acfbcc-60
0.356
MAR-TRE-87acfbcc-43
0.352
MAR-TRE-87acfbcc-57
0.347
MAR-TRE-87acfbcc-56
0.329
MAR-TRE-87acfbcc-84
0.302
MAR-TRE-87acfbcc-46
0.301
MAR-TRE-87acfbcc-88
0.301
MAR-TRE-87acfbcc-75
0.296
MAR-TRE-87acfbcc-78
0.291
MAR-TRE-87acfbcc-36
0.290
MAR-TRE-87acfbcc-26
0.288
MAR-TRE-87acfbcc-69
0.286
MAR-TRE-87acfbcc-91
0.282
MAR-TRE-87acfbcc-6
0.280
MAR-TRE-87acfbcc-79
0.279
MAR-TRE-87acfbcc-20
0.278
MAR-TRE-87acfbcc-49
0.278
MAR-TRE-87acfbcc-61
0.275
MAR-TRE-87acfbcc-62
0.274
MAR-TRE-87acfbcc-67
0.273
MAR-TRE-87acfbcc-86
0.271
MAR-TRE-87acfbcc-41
0.271
MAR-TRE-87acfbcc-38
0.268
MAR-TRE-87acfbcc-21
0.267
MAR-TRE-87acfbcc-92
0.264
MAR-TRE-87acfbcc-16
0.263
MAR-TRE-87acfbcc-45
0.260
MAR-TRE-87acfbcc-15
0.260
MAR-TRE-87acfbcc-7
0.260
MAR-TRE-87acfbcc-58
0.260
MAR-TRE-87acfbcc-2
0.260
MAR-TRE-87acfbcc-12
0.257
MAR-TRE-87acfbcc-8
0.257
MAR-TRE-87acfbcc-47
0.257
MAR-TRE-87acfbcc-9
0.256
MAR-TRE-87acfbcc-87
0.256
MAR-TRE-87acfbcc-22
0.256
MAR-TRE-87acfbcc-100
0.253
MAR-TRE-87acfbcc-63
0.253
MAR-TRE-87acfbcc-19
0.250
MAR-TRE-87acfbcc-50
0.250
MAR-TRE-87acfbcc-23
0.247
MAR-TRE-87acfbcc-13
0.247
MAR-TRE-87acfbcc-90
0.246
MAR-TRE-87acfbcc-53
0.244
MAR-TRE-87acfbcc-82
0.244
MAR-TRE-87acfbcc-28
0.244
MAR-TRE-423310b6-77
0.244
MAR-TRE-87acfbcc-32
0.244
MAR-TRE-87acfbcc-37
0.243
MAR-TRE-87acfbcc-55
0.243
MAR-TRE-87acfbcc-89
0.243
MAR-TRE-87acfbcc-48
0.243
MAR-TRE-87acfbcc-29
0.241
MAR-TRE-87acfbcc-5
0.241
MAR-TRE-87acfbcc-11
0.240
MAR-TRE-87acfbcc-35
0.237
MAR-TRE-87acfbcc-39
0.237
MAR-TRE-87acfbcc-68
0.237
MAR-TRE-87acfbcc-33
0.237
MAR-TRE-87acfbcc-74
0.235
MAR-TRE-87acfbcc-95
0.235
MAR-TRE-85681e92-86
0.233
MAR-TRE-87acfbcc-51
0.232
MAR-TRE-87acfbcc-25
0.232
MAR-TRE-87acfbcc-97
0.232
MAR-TRE-87acfbcc-93
0.231
MAR-TRE-87acfbcc-66
0.231
MAR-TRE-87acfbcc-27
0.228
MAR-TRE-87acfbcc-31
0.227
MAR-TRE-87acfbcc-4
0.227
MAR-TRE-87acfbcc-98
0.227
MAR-TRE-87acfbcc-59
0.226
MAR-TRE-87acfbcc-77
0.226
MAR-TRE-87acfbcc-52
0.225
MAR-TRE-87acfbcc-24
0.225
MAR-TRE-87acfbcc-3
0.225
MAR-TRE-87acfbcc-65
0.225
MAR-TRE-87acfbcc-71
0.224
MAR-TRE-87acfbcc-10
0.222
NIM-UNI-310206f0-3
0.217
MAR-TRE-87acfbcc-70
0.216
MAR-TRE-87acfbcc-99
0.214
MAR-TRE-87acfbcc-30
0.213
MAR-TRE-87acfbcc-54
0.212
MAK-UNK-df1a028e-7
0.212
MAR-TRE-67513f76-65
0.212
MAR-TRE-3159af1a-7
0.211
MAR-TRE-aca67d11-91
0.210
MAK-UNK-df1a028e-9
0.210
MAK-UNK-0d6072ac-12
0.209
MAR-TRE-aca67d11-13
0.208
MAR-TRE-4f39ef4a-54
0.207
MAK-UNK-3f402c2b-15
0.207
MAK-UNK-3e0761f8-6
0.206
MAR-TRE-87acfbcc-76
0.205
MAR-TRE-87acfbcc-34
0.205