Molecular Properties | |
SMILES: | COC(=O)CCC(=O)c1nc(O)sc1CCl |
MW: | 263.0 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.49 |
cLogP: | 1.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ketone
Ester
Alkyl Halide
MAR-TRE-aca67d11-47
0.706
MAR-TRE-aca67d11-79
0.706
MAR-TRE-aca67d11-75
0.667
MAR-TRE-aca67d11-72
0.646
MAR-TRE-aca67d11-90
0.640
MAR-TRE-aca67d11-77
0.633
MAR-TRE-aca67d11-44
0.632
MAR-TRE-aca67d11-55
0.623
MAR-TRE-aca67d11-68
0.596
MAR-TRE-aca67d11-21
0.574
MAR-TRE-aca67d11-16
0.545
MAR-TRE-aca67d11-46
0.540
MAR-TRE-aca67d11-20
0.509
MAR-TRE-aca67d11-40
0.509
MAR-TRE-aca67d11-94
0.509
MAR-TRE-aca67d11-45
0.492
MAR-TRE-aca67d11-60
0.491
MAR-TRE-aca67d11-97
0.483
MAR-TRE-aca67d11-95
0.483
MAR-TRE-aca67d11-59
0.482
MAR-TRE-aca67d11-66
0.476
MAR-TRE-8a25d817-57
0.474
MAR-TRE-aca67d11-33
0.460
MAR-TRE-aca67d11-76
0.460
MAR-TRE-aca67d11-11
0.459
MAR-TRE-aca67d11-100
0.456
MAR-TRE-aca67d11-36
0.449
MAR-TRE-aca67d11-63
0.441
MAR-TRE-aca67d11-14
0.435
MAR-TRE-aca67d11-6
0.429
MAR-TRE-aca67d11-26
0.413
MAR-TRE-aca67d11-41
0.408
MAR-TRE-aca67d11-27
0.404
MAR-TRE-aca67d11-69
0.403
MAR-TRE-aca67d11-19
0.397
MAR-TRE-aca67d11-81
0.397
MAR-TRE-aca67d11-53
0.397
MAR-TRE-aca67d11-50
0.390
MAR-TRE-aca67d11-65
0.390
MAR-TRE-aca67d11-39
0.385
MAR-TRE-aca67d11-58
0.383
MAR-TRE-aca67d11-1
0.379
MAR-TRE-aca67d11-5
0.377
MAR-TRE-aca67d11-42
0.375
MAR-TRE-aca67d11-37
0.373
MAR-TRE-aca67d11-78
0.373
MAR-TRE-aca67d11-96
0.371
MAR-TRE-aca67d11-13
0.371
MAR-TRE-aca67d11-85
0.369
MAR-TRE-aca67d11-4
0.368
MAR-TRE-aca67d11-3
0.368
MAR-TRE-aca67d11-38
0.367
MAR-TRE-aca67d11-71
0.367
MAR-TRE-aca67d11-52
0.365
MAR-TRE-aca67d11-25
0.364
MAR-TRE-aca67d11-8
0.362
MAR-TRE-aca67d11-54
0.359
MAR-TRE-aca67d11-70
0.354
MAR-TRE-aca67d11-22
0.353
MAR-TRE-aca67d11-74
0.349
MAR-TRE-aca67d11-89
0.348
MAR-TRE-aca67d11-23
0.348
MAR-TRE-aca67d11-43
0.348
MAR-TRE-aca67d11-67
0.343
MAR-TRE-aca67d11-83
0.343
MAR-TRE-aca67d11-12
0.338
MAR-TRE-aca67d11-93
0.338
MAR-TRE-8a25d817-45
0.338
MAR-TRE-aca67d11-7
0.333
MAR-TRE-aca67d11-15
0.333
MAR-TRE-8a25d817-39
0.333
MAR-TRE-aca67d11-2
0.329
MAR-TRE-aca67d11-10
0.328
MAR-TRE-aca67d11-80
0.328
MAR-TRE-aca67d11-34
0.328
MAR-TRE-aca67d11-18
0.324
MAR-TRE-aca67d11-31
0.324
MAR-TRE-aca67d11-56
0.324
MAR-TRE-aca67d11-91
0.324
MAR-TRE-aca67d11-86
0.324
MAR-TRE-8a25d817-14
0.324
MAR-TRE-aca67d11-82
0.324
MAR-TRE-aca67d11-87
0.322
MAR-TRE-aca67d11-29
0.314
MAR-TRE-aca67d11-30
0.314
MAR-TRE-aca67d11-73
0.314
MAR-TRE-8a25d817-23
0.306
MAR-TRE-8a25d817-5
0.306
MAR-TRE-aca67d11-84
0.303
MAR-TRE-423310b6-14
0.294
MAR-TRE-aca67d11-9
0.293
MAR-TRE-87acfbcc-32
0.290
MAR-TRE-aca67d11-28
0.289
MAR-TRE-aca67d11-49
0.289
MAR-TRE-8a25d817-47
0.284
MAR-TRE-aca67d11-62
0.279
MAR-TRE-aca67d11-48
0.278
MAR-TRE-aca67d11-57
0.275
MAR-TRE-8a25d817-51
0.274
MAR-TRE-8a25d817-94
0.270