Molecular Properties | |
SMILES: | O=C(O)C(C(=O)c1nc(O)sc1CCl)c1ccccc1 |
MW: | 311.0 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.49 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Filter6_benzyl_halide
Ketone
Dye 11
Alkyl Halide
MAR-TRE-aca67d11-7
0.644
MAR-TRE-aca67d11-30
0.590
MAR-TRE-aca67d11-27
0.545
MAR-TRE-aca67d11-71
0.526
MAR-TRE-aca67d11-53
0.509
MAR-TRE-aca67d11-78
0.509
MAR-TRE-aca67d11-37
0.509
MAR-TRE-aca67d11-74
0.500
MAR-TRE-aca67d11-54
0.484
MAR-TRE-aca67d11-38
0.475
MAR-TRE-aca67d11-80
0.446
MAR-TRE-aca67d11-58
0.443
MAR-TRE-aca67d11-52
0.422
MAR-TRE-aca67d11-25
0.418
MAR-TRE-aca67d11-46
0.414
MAR-TRE-aca67d11-84
0.405
MAR-TRE-aca67d11-34
0.403
MAR-TRE-aca67d11-43
0.400
MAR-TRE-aca67d11-6
0.397
MAR-TRE-aca67d11-100
0.397
MAR-TRE-aca67d11-59
0.397
MAR-TRE-aca67d11-12
0.394
MAR-TRE-aca67d11-49
0.392
MAR-TRE-aca67d11-81
0.388
MAR-TRE-36bf7dba-30
0.386
MAR-TRE-aca67d11-63
0.385
MAR-TRE-aca67d11-97
0.382
MAR-TRE-aca67d11-23
0.382
MAR-TRE-aca67d11-26
0.382
MAR-TRE-aca67d11-85
0.382
MAR-TRE-aca67d11-15
0.382
MAR-TRE-aca67d11-65
0.381
MAR-TRE-aca67d11-95
0.379
MAR-TRE-aca67d11-72
0.377
MAR-TRE-aca67d11-67
0.377
MAR-TRE-aca67d11-83
0.377
MAR-TRE-aca67d11-18
0.375
MAR-TRE-aca67d11-62
0.369
MAR-TRE-aca67d11-33
0.366
MAR-TRE-aca67d11-14
0.362
MAR-TRE-aca67d11-89
0.362
MAR-TRE-aca67d11-82
0.357
MAR-TRE-aca67d11-56
0.357
MAR-TRE-aca67d11-8
0.356
MAR-TRE-aca67d11-28
0.355
MAR-TRE-aca67d11-60
0.355
MAR-TRE-aca67d11-40
0.354
MAR-TRE-aca67d11-20
0.354
MAR-TRE-aca67d11-68
0.354
MAR-TRE-aca67d11-93
0.353
MAR-TRE-aca67d11-1
0.352
MAR-TRE-aca67d11-77
0.349
MAR-TRE-aca67d11-75
0.349
MAR-TRE-aca67d11-70
0.348
MAR-TRE-aca67d11-22
0.347
MAR-TRE-aca67d11-29
0.347
MAR-TRE-aca67d11-76
0.347
MAR-TRE-aca67d11-21
0.343
MAR-TRE-aca67d11-13
0.343
MAR-TRE-aca67d11-66
0.342
MAR-TRE-aca67d11-3
0.342
MAR-TRE-aca67d11-2
0.342
MAR-TRE-aca67d11-4
0.342
MAR-TRE-aca67d11-90
0.338
MAR-TRE-aca67d11-86
0.338
MAR-TRE-aca67d11-31
0.338
MAR-TRE-aca67d11-79
0.333
MAR-TRE-aca67d11-5
0.333
MAR-TRE-aca67d11-69
0.333
MAR-TRE-aca67d11-41
0.329
MAR-TRE-aca67d11-73
0.329
MAR-TRE-aca67d11-64
0.328
MAR-TRE-aca67d11-48
0.325
MAR-TRE-aca67d11-9
0.325
MAR-TRE-aca67d11-11
0.324
MAR-TRE-aca67d11-16
0.324
MAR-TRE-aca67d11-96
0.324
MAR-TRE-aca67d11-91
0.319
MAR-TRE-aca67d11-39
0.319
MAR-TRE-aca67d11-94
0.319
MAR-TRE-aca67d11-55
0.319
MAR-TRE-aca67d11-45
0.315
MAR-TRE-aca67d11-47
0.314
MAR-TRE-87acfbcc-50
0.314
MAR-TRE-aca67d11-36
0.312
MAR-TRE-aca67d11-42
0.310
MAR-TRE-87acfbcc-35
0.297
MAR-TRE-aca67d11-44
0.289
MAR-TRE-aca67d11-19
0.289
MAR-TRE-aca67d11-92
0.286
MAR-TRE-aca67d11-35
0.282
MAR-TRE-aca67d11-87
0.277
MAR-TRE-87acfbcc-95
0.276
AUS-ARG-7cfdce8f-11
0.264
MAR-TRE-aca67d11-50
0.261
SIM-SYN-f15aaa3a-1
0.261
MAR-TRE-6a44bbf2-92
0.260
MAR-TRE-423310b6-62
0.260
MAR-TRE-6a44bbf2-57
0.256
MAR-TRE-aca67d11-24
0.256