Molecular Properties | |
SMILES: | NCCOCCC(N)C(=O)Oc1csc(CCl)n1 |
MW: | 293.06 |
Fraction sp3: | 0.6 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.46 |
cLogP: | 0.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Carboxylic acid esters
Filter6_benzyl_halide
amino acid
Ester
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-36bf7dba-23
0.516
MAR-TRE-36bf7dba-1
0.515
MAR-TRE-36bf7dba-47
0.493
MAR-TRE-36bf7dba-90
0.484
MAR-TRE-36bf7dba-67
0.471
MAR-TRE-36bf7dba-6
0.468
MAR-TRE-36bf7dba-36
0.456
MAR-TRE-36bf7dba-76
0.452
MAR-TRE-36bf7dba-56
0.444
MAR-TRE-36bf7dba-30
0.443
MAR-TRE-36bf7dba-37
0.431
MAR-TRE-36bf7dba-95
0.431
MAR-TRE-36bf7dba-22
0.423
MAR-TRE-36bf7dba-99
0.418
MAR-TRE-36bf7dba-68
0.413
MAR-TRE-36bf7dba-34
0.408
MAR-TRE-36bf7dba-91
0.397
MAR-TRE-36bf7dba-43
0.397
MAR-TRE-36bf7dba-51
0.394
MAR-TRE-36bf7dba-9
0.391
MAR-TRE-36bf7dba-97
0.391
MAR-TRE-36bf7dba-87
0.389
MAR-TRE-36bf7dba-41
0.389
MAR-TRE-36bf7dba-28
0.384
MAR-TRE-36bf7dba-53
0.380
MAR-TRE-36bf7dba-31
0.380
MAR-TRE-36bf7dba-62
0.380
MAR-TRE-36bf7dba-4
0.380
MAR-TRE-36bf7dba-89
0.380
MAR-TRE-36bf7dba-48
0.377
MAR-TRE-36bf7dba-7
0.373
MAR-TRE-36bf7dba-69
0.371
MAR-TRE-36bf7dba-64
0.368
MAR-TRE-36bf7dba-81
0.357
MAR-TRE-36bf7dba-40
0.355
MAR-TRE-36bf7dba-44
0.354
MAR-TRE-36bf7dba-54
0.354
MAR-TRE-36bf7dba-74
0.351
MAR-TRE-36bf7dba-78
0.350
MAR-TRE-36bf7dba-66
0.349
MAR-TRE-36bf7dba-2
0.348
MAR-TRE-36bf7dba-12
0.347
MAR-TRE-36bf7dba-84
0.346
MAR-TRE-36bf7dba-52
0.346
MAR-TRE-36bf7dba-50
0.342
MAR-TRE-36bf7dba-5
0.338
MAR-TRE-36bf7dba-80
0.338
MAR-TRE-36bf7dba-27
0.337
MAR-TRE-36bf7dba-3
0.333
MAR-TRE-36bf7dba-21
0.333
MAR-TRE-36bf7dba-19
0.333
MAR-TRE-36bf7dba-60
0.333
MAR-TRE-36bf7dba-93
0.333
MAR-TRE-36bf7dba-26
0.333
MAR-TRE-36bf7dba-63
0.329
MAR-TRE-36bf7dba-86
0.329
MAR-TRE-36bf7dba-70
0.324
MAR-TRE-36bf7dba-42
0.321
MAR-TRE-36bf7dba-35
0.321
MAR-TRE-36bf7dba-71
0.321
MAR-TRE-36bf7dba-92
0.318
MAR-TRE-36bf7dba-100
0.316
MAR-TRE-36bf7dba-79
0.315
MAR-TRE-36bf7dba-20
0.315
MAR-TRE-36bf7dba-75
0.314
MAR-TRE-36bf7dba-45
0.312
MAR-TRE-36bf7dba-94
0.312
MAR-TRE-36bf7dba-8
0.311
MAR-TRE-36bf7dba-33
0.311
MAR-TRE-36bf7dba-82
0.310
MAR-TRE-36bf7dba-38
0.310
MAR-TRE-36bf7dba-59
0.308
MAR-TRE-36bf7dba-88
0.305
MAR-TRE-36bf7dba-10
0.305
MAR-TRE-36bf7dba-39
0.305
MAR-TRE-87acfbcc-61
0.304
MAR-TRE-36bf7dba-11
0.301
MAR-TRE-36bf7dba-73
0.301
MAR-TRE-36bf7dba-57
0.300
MAR-TRE-36bf7dba-65
0.298
MAR-TRE-36bf7dba-29
0.296
MAR-TRE-36bf7dba-15
0.296
MAR-TRE-36bf7dba-55
0.296
MAR-TRE-36bf7dba-49
0.292
MAR-TRE-36bf7dba-85
0.289
MAR-TRE-36bf7dba-25
0.287
MAR-TRE-36bf7dba-46
0.287
MAR-TRE-423310b6-47
0.284
MAR-TRE-36bf7dba-72
0.284
MAR-TRE-36bf7dba-98
0.284
MAR-TRE-36bf7dba-96
0.284
MAR-TRE-36bf7dba-83
0.272
MAR-TRE-36bf7dba-58
0.271
MAR-TRE-36bf7dba-17
0.268
MAR-TRE-36bf7dba-24
0.253
MAR-TRE-36bf7dba-13
0.253
MAR-TRE-36bf7dba-18
0.247
MAR-TRE-36bf7dba-61
0.245
MAR-TRE-36bf7dba-77
0.242
MAR-TRE-36bf7dba-32
0.241