Molecular Properties | |
SMILES: | O=C(CCCNC(=O)c1conc1CCl)c1ccc(O)cc1 |
MW: | 322.07 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 92.43 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-a78003aa-68
0.574
MAR-TRE-a78003aa-29
0.565
MAR-TRE-a78003aa-72
0.540
MAR-TRE-a78003aa-76
0.531
MAR-TRE-a78003aa-37
0.530
MAR-TRE-a78003aa-44
0.507
MAR-TRE-a78003aa-92
0.500
MAR-TRE-a78003aa-18
0.486
MAR-TRE-a78003aa-62
0.478
MAR-TRE-a78003aa-69
0.477
MAR-TRE-a78003aa-94
0.471
MAR-TRE-a78003aa-60
0.471
MAR-TRE-a78003aa-85
0.469
MAR-TRE-a78003aa-58
0.465
MAR-TRE-a78003aa-23
0.456
MAR-TRE-a78003aa-41
0.452
MAR-TRE-a78003aa-19
0.450
MAR-TRE-a78003aa-51
0.448
MAR-TRE-a78003aa-36
0.448
MAR-TRE-a78003aa-6
0.441
MAR-TRE-a78003aa-4
0.441
MAR-TRE-a78003aa-40
0.441
MAR-TRE-a78003aa-15
0.435
MAR-TRE-a78003aa-24
0.435
MAR-TRE-a78003aa-16
0.435
MAR-TRE-8a25d817-33
0.432
MAR-TRE-a78003aa-20
0.429
MAR-TRE-a78003aa-32
0.429
MAR-TRE-a78003aa-99
0.429
MAR-TRE-a78003aa-17
0.429
MAR-TRE-a78003aa-88
0.423
MAR-TRE-a78003aa-11
0.417
MAR-TRE-a78003aa-64
0.417
MAR-TRE-a78003aa-78
0.413
MAR-TRE-a78003aa-54
0.413
MAR-TRE-a78003aa-100
0.413
MAR-TRE-a78003aa-8
0.411
MAR-TRE-a78003aa-10
0.411
MAR-TRE-a78003aa-66
0.411
MAR-TRE-a78003aa-22
0.408
MAR-TRE-a78003aa-48
0.408
MAR-TRE-a78003aa-97
0.405
MAR-TRE-a78003aa-46
0.405
MAR-TRE-a78003aa-56
0.403
MAR-TRE-a78003aa-73
0.400
MAR-TRE-a78003aa-50
0.397
MAR-TRE-a78003aa-3
0.395
MAR-TRE-a78003aa-47
0.395
MAR-TRE-a78003aa-83
0.391
MAR-TRE-a78003aa-30
0.391
MAR-TRE-a78003aa-13
0.390
MAR-TRE-a78003aa-52
0.390
MAR-TRE-a78003aa-75
0.390
MAR-TRE-a78003aa-59
0.386
MAR-TRE-a78003aa-27
0.386
MAR-TRE-a78003aa-43
0.386
MAR-TRE-a78003aa-49
0.386
MAR-TRE-a78003aa-25
0.385
MAR-TRE-a78003aa-55
0.382
MAR-TRE-a78003aa-34
0.380
MAR-TRE-a78003aa-14
0.380
MAR-TRE-a78003aa-80
0.378
MAR-TRE-a78003aa-33
0.375
MAR-TRE-a78003aa-12
0.375
MAR-TRE-a78003aa-91
0.375
MAR-TRE-a78003aa-90
0.372
MAR-TRE-a78003aa-95
0.372
MAR-TRE-a78003aa-87
0.370
MAR-TRE-a78003aa-1
0.370
MAR-TRE-a78003aa-39
0.367
MAR-TRE-a78003aa-79
0.367
MAR-TRE-a78003aa-84
0.367
MAR-TRE-a78003aa-93
0.367
MAR-TRE-a78003aa-53
0.366
MAR-TRE-a78003aa-21
0.364
MAR-TRE-a78003aa-31
0.362
MAR-TRE-a78003aa-42
0.362
MAR-TRE-a78003aa-26
0.362
MAR-TRE-a78003aa-74
0.362
MAR-TRE-a78003aa-35
0.362
MAR-TRE-a78003aa-67
0.360
MAR-TRE-a78003aa-28
0.360
MAR-TRE-a78003aa-5
0.358
MAR-TRE-a78003aa-57
0.358
MAR-TRE-a78003aa-38
0.358
MAR-TRE-a78003aa-86
0.358
MAR-TRE-a78003aa-71
0.355
MAR-TRE-a78003aa-82
0.354
MAR-TRE-a78003aa-81
0.354
MAR-TRE-a78003aa-9
0.354
MAR-TRE-a78003aa-7
0.354
MAR-TRE-a78003aa-89
0.351
MAR-TRE-a78003aa-96
0.351
MAR-TRE-a78003aa-65
0.350
MAR-TRE-a78003aa-63
0.346
MAR-TRE-a78003aa-77
0.346
MAR-TRE-a78003aa-98
0.341
MAR-TRE-a78003aa-61
0.338
MAR-TRE-a78003aa-45
0.337
MAR-TRE-a78003aa-2
0.333