Molecular Properties | |
SMILES: | Cc1nc(C)c(C(=O)c2nc(O)sc2CCl)cc1C(=O)O |
MW: | 326.01 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 100.38 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-83
0.500
MAR-TRE-aca67d11-1
0.492
MAR-TRE-aca67d11-5
0.485
MAR-TRE-aca67d11-34
0.484
MAR-TRE-aca67d11-3
0.478
MAR-TRE-aca67d11-12
0.476
MAR-TRE-aca67d11-22
0.463
MAR-TRE-aca67d11-29
0.463
MAR-TRE-aca67d11-23
0.462
MAR-TRE-aca67d11-85
0.462
MAR-TRE-aca67d11-4
0.456
MAR-TRE-aca67d11-56
0.455
MAR-TRE-aca67d11-82
0.455
MAR-TRE-aca67d11-69
0.453
MAR-TRE-aca67d11-8
0.449
MAR-TRE-aca67d11-70
0.446
MAR-TRE-aca67d11-73
0.441
MAR-TRE-aca67d11-2
0.435
MAR-TRE-aca67d11-86
0.433
MAR-TRE-aca67d11-39
0.433
MAR-TRE-aca67d11-49
0.425
MAR-TRE-aca67d11-81
0.424
MAR-TRE-aca67d11-89
0.418
MAR-TRE-aca67d11-31
0.412
MAR-TRE-aca67d11-9
0.411
MAR-TRE-aca67d11-27
0.410
MAR-TRE-aca67d11-93
0.409
MAR-TRE-aca67d11-18
0.408
MAR-TRE-aca67d11-42
0.403
MAR-TRE-aca67d11-48
0.390
MAR-TRE-aca67d11-28
0.387
MAR-TRE-aca67d11-46
0.383
MAR-TRE-aca67d11-37
0.381
MAR-TRE-aca67d11-53
0.381
MAR-TRE-aca67d11-10
0.377
MAR-TRE-aca67d11-72
0.371
MAR-TRE-aca67d11-58
0.369
MAR-TRE-aca67d11-75
0.365
MAR-TRE-aca67d11-7
0.361
MAR-TRE-aca67d11-30
0.361
MAR-TRE-aca67d11-78
0.359
MAR-TRE-aca67d11-16
0.358
MAR-TRE-aca67d11-38
0.354
MAR-TRE-aca67d11-65
0.354
MAR-TRE-aca67d11-71
0.354
MAR-TRE-aca67d11-90
0.354
MAR-TRE-aca67d11-95
0.353
MAR-TRE-aca67d11-60
0.349
MAR-TRE-aca67d11-40
0.348
MAR-TRE-aca67d11-100
0.348
MAR-TRE-aca67d11-20
0.348
MAR-TRE-aca67d11-59
0.348
MAR-TRE-aca67d11-47
0.348
MAR-TRE-aca67d11-54
0.348
MAR-TRE-aca67d11-79
0.348
MAR-TRE-aca67d11-77
0.344
MAR-TRE-aca67d11-64
0.343
MAR-TRE-aca67d11-76
0.342
MAR-TRE-aca67d11-13
0.338
MAR-TRE-aca67d11-21
0.338
MAR-TRE-aca67d11-63
0.338
MAR-TRE-aca67d11-96
0.338
MAR-TRE-aca67d11-74
0.338
MAR-TRE-aca67d11-14
0.338
MAR-TRE-aca67d11-97
0.338
MAR-TRE-aca67d11-66
0.338
MAR-TRE-aca67d11-6
0.333
MAR-TRE-aca67d11-55
0.333
MAR-TRE-aca67d11-91
0.333
MAR-TRE-aca67d11-94
0.333
MAR-TRE-aca67d11-68
0.328
MAR-TRE-aca67d11-33
0.324
MAR-TRE-aca67d11-80
0.319
MAR-TRE-aca67d11-11
0.319
MAR-TRE-aca67d11-26
0.319
MAR-TRE-aca67d11-25
0.315
MAR-TRE-aca67d11-52
0.314
MAR-TRE-aca67d11-84
0.312
MAR-TRE-aca67d11-45
0.311
MAR-TRE-aca67d11-36
0.309
MAR-TRE-aca67d11-43
0.303
MAR-TRE-aca67d11-44
0.303
MAR-TRE-aca67d11-19
0.301
MAR-TRE-aca67d11-15
0.293
MAR-TRE-aca67d11-41
0.293
MAR-TRE-aca67d11-87
0.292
MAR-TRE-aca67d11-92
0.282
MAR-TRE-aca67d11-62
0.275
MAR-TRE-aca67d11-50
0.257
MAR-TRE-aca67d11-24
0.253
MAR-TRE-aca67d11-99
0.250
MAR-TRE-aca67d11-61
0.247
MAR-TRE-aca67d11-88
0.234
MAR-TRE-8a25d817-74
0.234
MAR-TRE-a78003aa-42
0.229
MAR-TRE-aca67d11-35
0.227
MAR-TRE-aca67d11-98
0.225
MAR-TRE-aca67d11-17
0.224
MAR-TRE-a78003aa-7
0.224
BEN-DND-93268d01-5
0.222