Molecular Properties | |
SMILES: | COC(CNC(=O)c1conc1CCl)OC |
MW: | 248.06 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 73.59 |
cLogP: | 0.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Filter6_benzyl_halide
acetal
Alkyl Halide
glycol
MAR-TRE-a78003aa-66
0.722
MAR-TRE-a78003aa-51
0.673
MAR-TRE-a78003aa-8
0.661
MAR-TRE-a78003aa-10
0.661
MAR-TRE-a78003aa-60
0.661
MAR-TRE-a78003aa-22
0.644
MAR-TRE-a78003aa-6
0.630
MAR-TRE-a78003aa-4
0.630
MAR-TRE-a78003aa-3
0.627
MAR-TRE-a78003aa-16
0.618
MAR-TRE-a78003aa-15
0.618
MAR-TRE-a78003aa-23
0.618
MAR-TRE-a78003aa-20
0.607
MAR-TRE-a78003aa-13
0.590
MAR-TRE-a78003aa-11
0.586
MAR-TRE-a78003aa-44
0.569
MAR-TRE-a78003aa-58
0.567
MAR-TRE-a78003aa-33
0.561
MAR-TRE-a78003aa-64
0.559
MAR-TRE-a78003aa-85
0.556
MAR-TRE-a78003aa-41
0.548
MAR-TRE-a78003aa-40
0.544
MAR-TRE-a78003aa-68
0.536
MAR-TRE-a78003aa-69
0.536
MAR-TRE-a78003aa-83
0.536
MAR-TRE-a78003aa-62
0.533
MAR-TRE-a78003aa-80
0.533
MAR-TRE-a78003aa-49
0.526
MAR-TRE-a78003aa-36
0.526
MAR-TRE-a78003aa-72
0.526
MAR-TRE-a78003aa-32
0.525
MAR-TRE-a78003aa-76
0.517
MAR-TRE-a78003aa-37
0.517
MAR-TRE-a78003aa-18
0.516
MAR-TRE-a78003aa-97
0.516
MAR-TRE-a78003aa-30
0.509
MAR-TRE-a78003aa-92
0.508
MAR-TRE-a78003aa-24
0.508
MAR-TRE-a78003aa-67
0.508
MAR-TRE-a78003aa-14
0.500
MAR-TRE-a78003aa-17
0.500
MAR-TRE-a78003aa-43
0.500
MAR-TRE-a78003aa-94
0.500
MAR-TRE-a78003aa-27
0.500
MAR-TRE-a78003aa-52
0.492
MAR-TRE-a78003aa-88
0.492
MAR-TRE-a78003aa-34
0.492
MAR-TRE-a78003aa-63
0.484
MAR-TRE-a78003aa-73
0.484
MAR-TRE-a78003aa-91
0.483
MAR-TRE-a78003aa-78
0.477
MAR-TRE-a78003aa-71
0.476
MAR-TRE-a78003aa-59
0.475
MAR-TRE-a78003aa-96
0.469
MAR-TRE-a78003aa-28
0.460
MAR-TRE-a78003aa-12
0.459
MAR-TRE-a78003aa-100
0.455
MAR-TRE-a78003aa-48
0.448
MAR-TRE-a78003aa-89
0.446
MAR-TRE-a78003aa-29
0.441
MAR-TRE-a78003aa-56
0.441
MAR-TRE-a78003aa-70
0.429
MAR-TRE-a78003aa-5
0.429
MAR-TRE-a78003aa-61
0.426
MAR-TRE-a78003aa-90
0.426
MAR-TRE-a78003aa-81
0.423
MAR-TRE-a78003aa-7
0.423
MAR-TRE-a78003aa-46
0.423
MAR-TRE-a78003aa-9
0.423
MAR-TRE-a78003aa-87
0.423
MAR-TRE-a78003aa-45
0.423
MAR-TRE-a78003aa-2
0.420
MAR-TRE-a78003aa-19
0.413
MAR-TRE-a78003aa-95
0.406
MAR-TRE-a78003aa-93
0.400
MAR-TRE-a78003aa-65
0.400
MAR-TRE-a78003aa-21
0.397
MAR-TRE-a78003aa-55
0.397
MAR-TRE-a78003aa-42
0.394
MAR-TRE-a78003aa-50
0.394
MAR-TRE-a78003aa-54
0.391
MAR-TRE-a78003aa-47
0.391
MAR-TRE-a78003aa-75
0.386
MAR-TRE-a78003aa-82
0.386
MAR-TRE-a78003aa-79
0.380
MAR-TRE-a78003aa-25
0.380
MAR-TRE-a78003aa-39
0.380
MAR-TRE-a78003aa-84
0.380
MAR-TRE-a78003aa-53
0.378
MAR-TRE-a78003aa-26
0.375
MAR-TRE-a78003aa-35
0.375
MAR-TRE-a78003aa-31
0.375
MAR-TRE-a78003aa-77
0.375
MAR-TRE-a78003aa-74
0.375
MAR-TRE-a78003aa-57
0.370
MAR-TRE-a78003aa-38
0.370
MAR-TRE-a78003aa-98
0.370
MAR-TRE-a78003aa-86
0.370
MAR-TRE-a78003aa-1
0.365
MAR-TRE-423310b6-55
0.297