Molecular Properties | |
SMILES: | COC(=O)C(CO)Nc1c[nH]nc1CCl |
MW: | 233.06 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 87.24 |
cLogP: | 0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-423310b6-88
0.740
MAR-TRE-423310b6-73
0.729
MAR-TRE-423310b6-72
0.708
MAR-TRE-423310b6-27
0.643
MAR-TRE-423310b6-26
0.640
MAR-TRE-423310b6-42
0.620
MAR-TRE-423310b6-36
0.604
MAR-TRE-423310b6-22
0.604
MAR-TRE-423310b6-9
0.593
MAR-TRE-423310b6-7
0.585
MAR-TRE-423310b6-16
0.571
MAR-TRE-423310b6-56
0.569
MAR-TRE-423310b6-39
0.561
MAR-TRE-423310b6-24
0.554
MAR-TRE-423310b6-45
0.554
MAR-TRE-423310b6-29
0.554
MAR-TRE-423310b6-82
0.554
MAR-TRE-423310b6-21
0.550
MAR-TRE-423310b6-54
0.537
MAR-TRE-423310b6-49
0.527
MAR-TRE-423310b6-31
0.525
MAR-TRE-423310b6-23
0.517
MAR-TRE-423310b6-53
0.517
MAR-TRE-423310b6-83
0.509
MAR-TRE-423310b6-68
0.446
MAR-TRE-423310b6-62
0.438
MAR-TRE-423310b6-55
0.404
MAR-TRE-423310b6-14
0.397
MAR-TRE-423310b6-89
0.397
MAR-TRE-423310b6-69
0.393
MAR-TRE-423310b6-71
0.393
MAR-TRE-423310b6-17
0.387
MAR-TRE-423310b6-85
0.385
MAR-TRE-423310b6-87
0.381
MAR-TRE-423310b6-41
0.373
MAR-TRE-423310b6-19
0.368
MAR-TRE-423310b6-40
0.365
MAR-TRE-423310b6-75
0.364
MAR-TRE-423310b6-15
0.361
MAR-TRE-423310b6-47
0.357
MAR-TRE-423310b6-94
0.354
MAR-TRE-423310b6-8
0.349
MAR-TRE-423310b6-33
0.349
MAR-TRE-423310b6-91
0.349
MAR-TRE-423310b6-86
0.349
MAR-TRE-423310b6-60
0.348
MAR-TRE-423310b6-59
0.344
MAR-TRE-423310b6-32
0.343
MAR-TRE-423310b6-64
0.338
MAR-TRE-87acfbcc-12
0.333
MAR-TRE-423310b6-28
0.333
MAR-TRE-423310b6-81
0.328
MAR-TRE-423310b6-93
0.319
MAR-TRE-423310b6-20
0.318
MAR-TRE-423310b6-58
0.317
MAR-TRE-423310b6-67
0.314
MAR-TRE-423310b6-50
0.313
MAR-TRE-423310b6-30
0.310
MAR-TRE-a78003aa-67
0.309
MAR-TRE-423310b6-25
0.307
MAR-TRE-423310b6-76
0.306
MAR-TRE-87acfbcc-99
0.306
MAR-TRE-423310b6-65
0.303
MAR-TRE-423310b6-18
0.301
MAR-TRE-423310b6-46
0.299
MAR-TRE-423310b6-80
0.299
MAR-TRE-a78003aa-8
0.286
MAR-TRE-423310b6-92
0.284
MAR-TRE-a78003aa-33
0.284
MAR-TRE-423310b6-37
0.281
MAR-TRE-423310b6-44
0.278
MAR-TRE-87acfbcc-95
0.278
MAR-TRE-87acfbcc-13
0.277
MAR-TRE-87acfbcc-79
0.274
MAR-TRE-87acfbcc-97
0.274
MAR-TRE-a78003aa-80
0.271
MAR-TRE-423310b6-77
0.271
MAR-TRE-87acfbcc-11
0.269
MAR-TRE-8a25d817-8
0.269
MAR-TRE-87acfbcc-67
0.268
MAR-TRE-423310b6-13
0.268
MAR-TRE-a78003aa-10
0.268
MAR-TRE-423310b6-61
0.267
MAR-TRE-87acfbcc-41
0.266
MAR-TRE-87acfbcc-86
0.266
MAR-TRE-87acfbcc-21
0.261
MAR-TRE-a78003aa-30
0.258
MAR-TRE-87acfbcc-91
0.258
MAR-TRE-85681e92-51
0.257
MAR-TRE-a78003aa-3
0.257
MAR-TRE-423310b6-90
0.256
MAR-TRE-87acfbcc-20
0.254
MAR-TRE-87acfbcc-15
0.254
MAR-TRE-87acfbcc-7
0.254
MAR-TRE-87acfbcc-87
0.250
MAR-TRE-8a25d817-64
0.250
MAR-TRE-87acfbcc-22
0.250
MAR-TRE-423310b6-70
0.250
MAR-TRE-423310b6-78
0.250
MAR-TRE-87acfbcc-8
0.250