Molecular Properties | |
SMILES: | COC(=O)C(Cc1c[nH]cn1)Nc1cnc(CCl)[nH]1 |
MW: | 283.08 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 95.69 |
cLogP: | 1.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Ester
Alkyl Halide
MAR-TRE-87acfbcc-63
0.712
MAR-TRE-87acfbcc-12
0.525
MAR-TRE-87acfbcc-41
0.492
MAR-TRE-87acfbcc-11
0.484
MAR-TRE-87acfbcc-67
0.471
MAR-TRE-87acfbcc-7
0.469
MAR-TRE-87acfbcc-15
0.469
MAR-TRE-87acfbcc-20
0.469
MAR-TRE-87acfbcc-59
0.458
MAR-TRE-87acfbcc-5
0.458
MAR-TRE-87acfbcc-13
0.453
MAR-TRE-87acfbcc-91
0.453
MAR-TRE-87acfbcc-97
0.451
MAR-TRE-87acfbcc-21
0.448
MAR-TRE-87acfbcc-36
0.444
MAR-TRE-87acfbcc-16
0.441
MAR-TRE-87acfbcc-95
0.437
MAR-TRE-87acfbcc-79
0.435
MAR-TRE-87acfbcc-2
0.435
MAR-TRE-87acfbcc-51
0.431
MAR-TRE-87acfbcc-9
0.429
MAR-TRE-87acfbcc-22
0.429
MAR-TRE-87acfbcc-87
0.429
MAR-TRE-87acfbcc-47
0.418
MAR-TRE-87acfbcc-38
0.415
MAR-TRE-87acfbcc-25
0.411
MAR-TRE-87acfbcc-53
0.405
MAR-TRE-aca67d11-15
0.392
MAR-TRE-87acfbcc-46
0.386
MAR-TRE-87acfbcc-86
0.379
MAR-TRE-4f39ef4a-83
0.377
MAR-TRE-87acfbcc-50
0.366
MAR-TRE-87acfbcc-35
0.365
MAR-TRE-87acfbcc-8
0.357
MAR-TRE-87acfbcc-28
0.356
MAR-TRE-87acfbcc-70
0.353
MAR-TRE-87acfbcc-48
0.343
MAR-TRE-87acfbcc-19
0.342
MAR-TRE-87acfbcc-32
0.338
UNK-CYC-68f84b31-78
0.337
MAR-TRE-87acfbcc-72
0.333
MAR-TRE-4f39ef4a-15
0.326
MAR-TRE-87acfbcc-49
0.324
MAR-TRE-87acfbcc-62
0.319
MAR-TRE-87acfbcc-71
0.319
MAR-TRE-87acfbcc-61
0.316
MAR-TRE-87acfbcc-83
0.316
MAR-TRE-4f39ef4a-54
0.312
MAR-TRE-85681e92-51
0.307
MAR-TRE-87acfbcc-65
0.306
MAR-TRE-423310b6-57
0.306
MAR-TRE-87acfbcc-55
0.306
MAR-TRE-87acfbcc-58
0.303
MAR-TRE-87acfbcc-68
0.297
MAR-TRE-87acfbcc-90
0.297
MAR-TRE-87acfbcc-34
0.291
MAR-TRE-87acfbcc-4
0.288
MAR-TRE-87acfbcc-45
0.288
MAR-TRE-87acfbcc-37
0.288
MAR-TRE-87acfbcc-98
0.288
MAR-TRE-87acfbcc-14
0.286
MAR-TRE-87acfbcc-54
0.286
MAR-TRE-87acfbcc-24
0.282
MAR-TRE-4f39ef4a-76
0.282
MAR-TRE-87acfbcc-77
0.280
MAR-TRE-87acfbcc-100
0.280
MAR-TRE-87acfbcc-33
0.280
MAR-TRE-87acfbcc-26
0.279
MAR-TRE-87acfbcc-69
0.278
MAR-TRE-423310b6-26
0.278
MAR-TRE-423310b6-27
0.275
MAR-TRE-87acfbcc-1
0.275
MAR-TRE-87acfbcc-92
0.274
MAR-TRE-87acfbcc-6
0.273
MAR-TRE-87acfbcc-94
0.272
MAR-TRE-87acfbcc-23
0.271
MAR-TRE-87acfbcc-81
0.271
MAR-TRE-87acfbcc-89
0.270
MAR-TRE-87acfbcc-27
0.269
MAR-TRE-87acfbcc-82
0.269
MAR-TRE-aca67d11-14
0.269
MAR-TRE-423310b6-22
0.267
MAR-TRE-87acfbcc-29
0.264
MAR-TRE-a78003aa-33
0.263
MAR-TRE-87acfbcc-10
0.263
MAR-TRE-aca67d11-45
0.263
MAR-TRE-87acfbcc-44
0.259
MAR-TRE-87acfbcc-30
0.257
MAR-TRE-87acfbcc-93
0.256
MAR-TRE-a78003aa-67
0.253
MAR-TRE-a78003aa-8
0.250
MAR-TRE-8a25d817-8
0.250
KEI-TRE-6cfd789b-4
0.250
MAR-TRE-87acfbcc-3
0.247
MAR-TRE-87acfbcc-60
0.247
MAR-TRE-87acfbcc-76
0.247
MAR-TRE-87acfbcc-74
0.244
MAR-TRE-423310b6-88
0.244
MAR-TRE-423310b6-90
0.242
MAR-TRE-e82e6c98-71
0.241