Molecular Properties | |
SMILES: | O=C(CCc1cccc(O)c1)c1nc(O)sc1CCl |
MW: | 297.02 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 70.42 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ketone
Alkyl Halide
MAR-TRE-aca67d11-33
0.538
MAR-TRE-aca67d11-45
0.500
MAR-TRE-aca67d11-72
0.500
MAR-TRE-aca67d11-68
0.492
MAR-TRE-aca67d11-75
0.492
MAR-TRE-aca67d11-77
0.492
MAR-TRE-aca67d11-41
0.479
MAR-TRE-aca67d11-90
0.475
MAR-TRE-aca67d11-84
0.466
MAR-TRE-aca67d11-12
0.462
MAR-TRE-aca67d11-64
0.460
MAR-TRE-aca67d11-21
0.453
MAR-TRE-aca67d11-55
0.446
MAR-TRE-aca67d11-59
0.444
MAR-TRE-aca67d11-46
0.441
MAR-TRE-aca67d11-47
0.439
MAR-TRE-aca67d11-79
0.439
MAR-TRE-aca67d11-19
0.429
MAR-TRE-aca67d11-60
0.426
MAR-TRE-aca67d11-66
0.423
MAR-TRE-aca67d11-40
0.422
MAR-TRE-aca67d11-6
0.420
MAR-TRE-aca67d11-63
0.409
MAR-TRE-aca67d11-44
0.403
MAR-TRE-aca67d11-20
0.400
MAR-TRE-aca67d11-100
0.400
MAR-TRE-aca67d11-16
0.388
MAR-TRE-aca67d11-14
0.386
MAR-TRE-aca67d11-34
0.386
MAR-TRE-aca67d11-97
0.386
MAR-TRE-aca67d11-11
0.386
MAR-TRE-aca67d11-36
0.385
MAR-TRE-aca67d11-95
0.382
MAR-TRE-aca67d11-94
0.382
MAR-TRE-aca67d11-8
0.378
MAR-TRE-aca67d11-23
0.366
MAR-TRE-aca67d11-26
0.366
MAR-TRE-aca67d11-65
0.364
MAR-TRE-aca67d11-69
0.357
ANT-DIA-b7f58f21-2
0.354
MAR-TRE-aca67d11-81
0.352
MAR-TRE-aca67d11-29
0.351
MAR-TRE-aca67d11-53
0.348
MAR-TRE-aca67d11-10
0.347
MAR-TRE-aca67d11-48
0.346
MAR-TRE-aca67d11-71
0.343
MAR-TRE-aca67d11-67
0.342
MAR-TRE-36bf7dba-74
0.338
MAR-TRE-aca67d11-5
0.338
MAR-TRE-aca67d11-7
0.333
MAR-TRE-aca67d11-27
0.333
MAR-TRE-aca67d11-30
0.333
MAR-TRE-aca67d11-73
0.333
MAR-TRE-aca67d11-9
0.329
MAR-TRE-aca67d11-3
0.329
MAR-TRE-aca67d11-4
0.329
MAR-TRE-aca67d11-89
0.329
MAR-TRE-aca67d11-85
0.329
MAR-TRE-aca67d11-37
0.328
MAR-TRE-aca67d11-78
0.328
MAR-TRE-aca67d11-28
0.325
MAR-TRE-aca67d11-18
0.325
MAR-TRE-aca67d11-39
0.324
MAR-TRE-aca67d11-31
0.324
MAR-TRE-aca67d11-56
0.324
MAR-TRE-aca67d11-82
0.324
MAR-TRE-aca67d11-83
0.324
MAR-TRE-aca67d11-86
0.324
MAR-TRE-aca67d11-52
0.324
MAR-TRE-aca67d11-38
0.324
MAR-TRE-aca67d11-1
0.320
MAR-TRE-aca67d11-93
0.319
MAR-TRE-aca67d11-58
0.319
MAR-TRE-aca67d11-22
0.316
MAR-TRE-aca67d11-42
0.315
MAR-TRE-aca67d11-70
0.315
MAR-TRE-aca67d11-2
0.312
MAR-TRE-aca67d11-62
0.311
MAR-TRE-aca67d11-13
0.310
MAR-TRE-aca67d11-74
0.310
MAR-TRE-aca67d11-96
0.310
MAR-TRE-aca67d11-49
0.309
MAR-TRE-aca67d11-54
0.301
MAR-TRE-aca67d11-43
0.295
MAR-TRE-aca67d11-80
0.293
MAR-TRE-aca67d11-25
0.289
MAR-TRE-aca67d11-91
0.289
MAR-TRE-aca67d11-99
0.274
MAR-TRE-aca67d11-15
0.271
MAR-TRE-aca67d11-87
0.265
ALP-POS-95b75b4d-2
0.263
MAR-TRE-aca67d11-24
0.263
MAR-TRE-4f39ef4a-10
0.259
MAR-TRE-aca67d11-35
0.253
ALP-POS-f13221e1-3
0.253
MAR-TRE-aca67d11-17
0.250
ALP-POS-f13221e1-4
0.250
MAR-TRE-aca67d11-50
0.250
MAR-TRE-92684b97-47
0.247
NAU-LAT-e1818702-2
0.241