Molecular Properties | |
SMILES: | CCOC(CNC(=O)c1conc1CCl)OCC |
MW: | 276.09 |
Fraction sp3: | 0.64 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 73.59 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Filter6_benzyl_halide
acetal
Long aliphatic chain
Alkyl Halide
glycol
MAR-TRE-a78003aa-99
0.722
MAR-TRE-a78003aa-41
0.650
MAR-TRE-a78003aa-51
0.636
MAR-TRE-a78003aa-8
0.627
MAR-TRE-a78003aa-13
0.613
MAR-TRE-a78003aa-10
0.600
MAR-TRE-a78003aa-6
0.596
MAR-TRE-a78003aa-4
0.596
MAR-TRE-a78003aa-16
0.586
MAR-TRE-a78003aa-15
0.586
MAR-TRE-a78003aa-23
0.586
MAR-TRE-a78003aa-20
0.576
MAR-TRE-a78003aa-3
0.571
MAR-TRE-a78003aa-22
0.562
MAR-TRE-a78003aa-11
0.557
MAR-TRE-a78003aa-60
0.548
MAR-TRE-a78003aa-40
0.542
MAR-TRE-a78003aa-18
0.540
MAR-TRE-a78003aa-83
0.534
MAR-TRE-a78003aa-85
0.526
MAR-TRE-a78003aa-44
0.516
MAR-TRE-a78003aa-37
0.516
MAR-TRE-a78003aa-97
0.516
MAR-TRE-a78003aa-52
0.515
MAR-TRE-a78003aa-69
0.508
MAR-TRE-a78003aa-68
0.508
MAR-TRE-a78003aa-33
0.508
MAR-TRE-a78003aa-62
0.508
MAR-TRE-a78003aa-64
0.508
MAR-TRE-a78003aa-63
0.508
MAR-TRE-a78003aa-32
0.500
MAR-TRE-a78003aa-36
0.500
MAR-TRE-a78003aa-72
0.500
MAR-TRE-a78003aa-14
0.500
MAR-TRE-a78003aa-96
0.492
MAR-TRE-a78003aa-58
0.492
MAR-TRE-a78003aa-88
0.492
MAR-TRE-a78003aa-76
0.492
MAR-TRE-a78003aa-34
0.492
MAR-TRE-a78003aa-28
0.484
MAR-TRE-a78003aa-67
0.484
MAR-TRE-a78003aa-80
0.484
MAR-TRE-a78003aa-91
0.484
MAR-TRE-a78003aa-92
0.484
MAR-TRE-a78003aa-24
0.484
MAR-TRE-a78003aa-30
0.483
MAR-TRE-a78003aa-94
0.477
MAR-TRE-a78003aa-71
0.477
MAR-TRE-a78003aa-17
0.476
MAR-TRE-a78003aa-27
0.475
MAR-TRE-a78003aa-43
0.475
MAR-TRE-a78003aa-49
0.475
MAR-TRE-a78003aa-89
0.470
MAR-TRE-a78003aa-73
0.463
MAR-TRE-a78003aa-78
0.456
MAR-TRE-a78003aa-59
0.452
MAR-TRE-a78003aa-12
0.438
MAR-TRE-a78003aa-100
0.435
MAR-TRE-a78003aa-48
0.429
MAR-TRE-a78003aa-2
0.423
MAR-TRE-a78003aa-56
0.423
MAR-TRE-a78003aa-29
0.423
MAR-TRE-a78003aa-70
0.411
MAR-TRE-a78003aa-61
0.408
MAR-TRE-a78003aa-9
0.405
MAR-TRE-a78003aa-46
0.405
MAR-TRE-a78003aa-19
0.397
MAR-TRE-a78003aa-5
0.392
MAR-TRE-a78003aa-82
0.389
MAR-TRE-a78003aa-95
0.389
MAR-TRE-a78003aa-90
0.389
MAR-TRE-a78003aa-7
0.387
MAR-TRE-a78003aa-45
0.387
MAR-TRE-a78003aa-81
0.387
MAR-TRE-a78003aa-87
0.387
MAR-TRE-a78003aa-93
0.384
MAR-TRE-a78003aa-65
0.384
MAR-TRE-a78003aa-21
0.380
MAR-TRE-a78003aa-55
0.380
MAR-TRE-a78003aa-42
0.378
MAR-TRE-a78003aa-50
0.378
MAR-TRE-a78003aa-47
0.375
MAR-TRE-a78003aa-54
0.375
MAR-TRE-a78003aa-75
0.370
MAR-TRE-a78003aa-25
0.365
MAR-TRE-a78003aa-79
0.365
MAR-TRE-a78003aa-84
0.365
MAR-TRE-a78003aa-39
0.365
MAR-TRE-a78003aa-53
0.364
MAR-TRE-a78003aa-26
0.360
MAR-TRE-a78003aa-74
0.360
MAR-TRE-a78003aa-31
0.360
MAR-TRE-a78003aa-35
0.360
MAR-TRE-a78003aa-77
0.360
MAR-TRE-a78003aa-98
0.355
MAR-TRE-a78003aa-57
0.355
MAR-TRE-a78003aa-86
0.355
MAR-TRE-a78003aa-38
0.355
MAR-TRE-a78003aa-1
0.351
MAR-TRE-423310b6-15
0.328