Molecular Properties | |
SMILES: | CC(C)CC(Nc1cnc(CCl)[nH]1)C(=O)NC(C)C(=O)O |
MW: | 316.13 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 107.11 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Long aliphatic chain
Alkyl Halide
MAR-TRE-87acfbcc-7
0.661
MAR-TRE-87acfbcc-11
0.593
MAR-TRE-87acfbcc-79
0.571
MAR-TRE-87acfbcc-41
0.552
MAR-TRE-87acfbcc-91
0.533
MAR-TRE-87acfbcc-15
0.525
MAR-TRE-87acfbcc-20
0.525
MAR-TRE-87acfbcc-36
0.500
MAR-TRE-87acfbcc-21
0.500
MAR-TRE-87acfbcc-87
0.500
MAR-TRE-87acfbcc-16
0.492
MAR-TRE-87acfbcc-38
0.492
MAR-TRE-87acfbcc-67
0.478
MAR-TRE-87acfbcc-9
0.478
MAR-TRE-87acfbcc-22
0.478
MAR-TRE-87acfbcc-47
0.469
MAR-TRE-87acfbcc-2
0.463
MAR-TRE-87acfbcc-53
0.451
MAR-TRE-87acfbcc-35
0.449
MAR-TRE-87acfbcc-63
0.449
MAR-TRE-87acfbcc-59
0.444
MAR-TRE-87acfbcc-5
0.444
MAR-TRE-87acfbcc-51
0.437
MAR-TRE-87acfbcc-12
0.435
MAR-TRE-87acfbcc-50
0.433
MAR-TRE-87acfbcc-28
0.420
MAR-TRE-87acfbcc-97
0.417
MAR-TRE-87acfbcc-13
0.415
MAR-TRE-87acfbcc-46
0.412
MAR-TRE-87acfbcc-99
0.411
MAR-TRE-87acfbcc-95
0.403
MAR-TRE-87acfbcc-19
0.403
MAR-TRE-87acfbcc-8
0.382
MAR-TRE-87acfbcc-48
0.368
MAR-TRE-87acfbcc-86
0.364
MAR-TRE-87acfbcc-71
0.362
MAR-TRE-87acfbcc-58
0.361
MAR-TRE-87acfbcc-70
0.358
MAR-TRE-87acfbcc-72
0.356
MAR-TRE-87acfbcc-49
0.348
MAR-TRE-87acfbcc-62
0.343
MAR-TRE-87acfbcc-61
0.338
MAR-TRE-87acfbcc-83
0.338
MAR-TRE-87acfbcc-55
0.329
MAR-TRE-87acfbcc-32
0.324
MAR-TRE-87acfbcc-90
0.323
MAR-TRE-87acfbcc-1
0.307
MAR-TRE-87acfbcc-26
0.303
MAR-TRE-87acfbcc-34
0.295
MAR-TRE-87acfbcc-3
0.294
MAR-TRE-87acfbcc-65
0.294
MAR-TRE-87acfbcc-45
0.292
MAR-TRE-87acfbcc-4
0.292
MAR-TRE-87acfbcc-37
0.292
MAR-TRE-87acfbcc-89
0.292
MAR-TRE-a78003aa-27
0.292
MAR-TRE-87acfbcc-33
0.284
MAR-TRE-87acfbcc-100
0.284
MAR-TRE-87acfbcc-29
0.282
MAR-TRE-87acfbcc-69
0.282
MAR-TRE-87acfbcc-73
0.278
MAR-TRE-87acfbcc-44
0.278
MAR-TRE-87acfbcc-74
0.278
JUS-UNI-57125a42-1
0.278
MAR-TRE-4f39ef4a-61
0.276
MAR-TRE-87acfbcc-6
0.276
MAR-TRE-e86a56b5-98
0.274
MAR-TRE-87acfbcc-54
0.273
MAR-TRE-87acfbcc-14
0.273
MAR-TRE-87acfbcc-68
0.267
MAR-TRE-4f39ef4a-59
0.267
MAR-TRE-87acfbcc-76
0.267
MAR-TRE-87acfbcc-10
0.266
MAR-TRE-87acfbcc-39
0.266
MAR-TRE-423310b6-72
0.264
MAR-TRE-87acfbcc-92
0.260
MAR-TRE-87acfbcc-93
0.260
MAR-TRE-87acfbcc-81
0.259
MAR-TRE-87acfbcc-23
0.259
MAR-TRE-87acfbcc-98
0.257
MAR-TRE-87acfbcc-27
0.256
FAR-UNI-124f5ee8-1
0.256
MAR-TRE-87acfbcc-24
0.253
MAR-TRE-8190bb11-48
0.250
ARI-TAT-5792557e-28
0.250
MAK-UNK-f983951f-22
0.250
MAR-TRE-85681e92-57
0.250
MAK-UNK-0d6072ac-29
0.244
MAR-TRE-87acfbcc-94
0.244
MAR-TRE-87acfbcc-85
0.244
MAR-TRE-423310b6-54
0.243
BAR-COM-4e090d3a-7
0.242
MAR-TRE-87acfbcc-82
0.241
MAR-TRE-423310b6-57
0.240
MAR-TRE-423310b6-49
0.240
MAR-TRE-a78003aa-43
0.240
MAR-TRE-423310b6-7
0.240
MAR-TRE-87acfbcc-31
0.239
MAR-TRE-87acfbcc-77
0.238
MAR-TRE-87acfbcc-52
0.237