Molecular Properties | |
SMILES: | O=C(O)C(Cc1c[nH]cn1)Nc1cnc(CCl)[nH]1 |
MW: | 269.07 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 106.69 |
cLogP: | 0.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-99
0.712
MAR-TRE-87acfbcc-41
0.571
MAR-TRE-87acfbcc-91
0.552
MAR-TRE-87acfbcc-5
0.545
MAR-TRE-87acfbcc-59
0.545
MAR-TRE-87acfbcc-15
0.542
MAR-TRE-87acfbcc-7
0.542
MAR-TRE-87acfbcc-20
0.542
MAR-TRE-87acfbcc-51
0.538
MAR-TRE-87acfbcc-2
0.524
MAR-TRE-87acfbcc-21
0.516
MAR-TRE-87acfbcc-16
0.508
MAR-TRE-87acfbcc-9
0.492
MAR-TRE-87acfbcc-22
0.492
MAR-TRE-87acfbcc-67
0.492
MAR-TRE-87acfbcc-87
0.492
MAR-TRE-87acfbcc-79
0.483
MAR-TRE-87acfbcc-36
0.467
MAR-TRE-87acfbcc-53
0.464
MAR-TRE-87acfbcc-11
0.460
MAR-TRE-87acfbcc-38
0.459
MAR-TRE-87acfbcc-25
0.449
MAR-TRE-87acfbcc-47
0.438
MAR-TRE-87acfbcc-12
0.426
MAR-TRE-87acfbcc-46
0.424
MAR-TRE-87acfbcc-50
0.424
MAR-TRE-87acfbcc-28
0.412
MAR-TRE-87acfbcc-97
0.408
MAR-TRE-87acfbcc-13
0.406
MAR-TRE-87acfbcc-35
0.400
MAR-TRE-87acfbcc-19
0.394
MAR-TRE-aca67d11-15
0.390
MAR-TRE-87acfbcc-95
0.375
MAR-TRE-4f39ef4a-15
0.370
MAR-TRE-87acfbcc-49
0.358
MAR-TRE-87acfbcc-8
0.353
MAR-TRE-87acfbcc-62
0.353
MAR-TRE-87acfbcc-71
0.353
MAR-TRE-87acfbcc-58
0.352
MAR-TRE-87acfbcc-70
0.348
MAR-TRE-4f39ef4a-54
0.342
MAR-TRE-87acfbcc-86
0.333
MAR-TRE-87acfbcc-61
0.329
MAR-TRE-87acfbcc-72
0.329
MAR-TRE-87acfbcc-48
0.319
MAR-TRE-87acfbcc-26
0.312
MAR-TRE-87acfbcc-83
0.312
MAR-TRE-87acfbcc-90
0.311
MAR-TRE-4f39ef4a-83
0.304
MAR-TRE-87acfbcc-37
0.300
MAR-TRE-87acfbcc-55
0.300
MAR-TRE-87acfbcc-45
0.300
MAR-TRE-87acfbcc-32
0.297
MAR-TRE-87acfbcc-54
0.297
MAR-TRE-aca67d11-14
0.297
MAR-TRE-87acfbcc-100
0.292
MAR-TRE-87acfbcc-33
0.292
MAR-TRE-87acfbcc-77
0.291
MAR-TRE-87acfbcc-69
0.290
MAR-TRE-87acfbcc-65
0.286
MAR-TRE-87acfbcc-6
0.284
MAR-TRE-87acfbcc-98
0.282
MAR-TRE-423310b6-7
0.282
MAR-TRE-87acfbcc-4
0.282
MAR-TRE-87acfbcc-14
0.280
UNK-CYC-68f84b31-78
0.280
MAR-TRE-4f39ef4a-76
0.276
MAR-TRE-423310b6-42
0.275
MAR-TRE-87acfbcc-10
0.273
MAR-TRE-aca67d11-45
0.273
MAR-TRE-423310b6-72
0.271
MAR-TRE-87acfbcc-3
0.271
MAR-TRE-423310b6-24
0.270
MAR-TRE-87acfbcc-74
0.269
MAR-TRE-87acfbcc-34
0.269
MAR-TRE-87acfbcc-93
0.267
MAR-TRE-e82e6c98-20
0.266
MAR-TRE-87acfbcc-89
0.264
MAR-TRE-423310b6-36
0.260
MAR-TRE-87acfbcc-29
0.259
MAR-TRE-85681e92-57
0.258
MAR-TRE-87acfbcc-76
0.257
MAR-TRE-423310b6-9
0.257
MAR-TRE-87acfbcc-68
0.257
MAR-TRE-87acfbcc-39
0.256
MAR-TRE-423310b6-53
0.256
MAR-TRE-423310b6-29
0.253
MAR-TRE-423310b6-45
0.253
MAR-TRE-423310b6-82
0.253
MAR-TRE-87acfbcc-42
0.253
MAR-TRE-87acfbcc-44
0.253
MAR-TRE-f5c2d31c-47
0.253
MAR-TRE-87acfbcc-85
0.250
MAR-TRE-87acfbcc-92
0.250
MAR-TRE-423310b6-16
0.250
SAL-INS-cba98abe-7
0.247
MAR-TRE-92684b97-72
0.247
MAR-TRE-423310b6-39
0.247
MAR-TRE-423310b6-49
0.247
MAR-TRE-87acfbcc-24
0.244