Molecular Properties | |
SMILES: | CCOC(OCC)C(=O)Nc1cnc(CCl)[nH]1 |
MW: | 261.09 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 76.24 |
cLogP: | 1.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Filter6_benzyl_halide
acetal
Long aliphatic chain
Alkyl Halide
glycol
MAR-TRE-87acfbcc-13
0.456
MAR-TRE-87acfbcc-29
0.449
MAR-TRE-87acfbcc-79
0.436
MAR-TRE-87acfbcc-12
0.429
MAR-TRE-87acfbcc-41
0.421
MAR-TRE-87acfbcc-86
0.421
MAR-TRE-87acfbcc-47
0.417
MAR-TRE-87acfbcc-20
0.400
MAR-TRE-87acfbcc-36
0.397
MAR-TRE-87acfbcc-38
0.390
MAR-TRE-87acfbcc-97
0.388
MAR-TRE-87acfbcc-21
0.381
MAR-TRE-87acfbcc-10
0.379
MAR-TRE-87acfbcc-15
0.377
MAR-TRE-87acfbcc-7
0.377
MAR-TRE-87acfbcc-95
0.373
MAR-TRE-87acfbcc-11
0.371
MAR-TRE-87acfbcc-32
0.369
MAR-TRE-87acfbcc-14
0.369
MAR-TRE-87acfbcc-25
0.368
MAR-TRE-87acfbcc-65
0.365
MAR-TRE-87acfbcc-22
0.364
MAR-TRE-87acfbcc-9
0.364
MAR-TRE-87acfbcc-67
0.364
MAR-TRE-87acfbcc-87
0.364
MAR-TRE-87acfbcc-91
0.361
MAR-TRE-87acfbcc-50
0.359
MAR-TRE-87acfbcc-35
0.358
MAR-TRE-87acfbcc-55
0.355
MAR-TRE-87acfbcc-49
0.355
MAR-TRE-87acfbcc-16
0.354
MAR-TRE-87acfbcc-90
0.352
MAR-TRE-87acfbcc-62
0.349
MAR-TRE-87acfbcc-68
0.344
MAR-TRE-87acfbcc-99
0.343
MAR-TRE-87acfbcc-46
0.338
MAR-TRE-87acfbcc-19
0.333
MAR-TRE-87acfbcc-51
0.329
MAR-TRE-87acfbcc-28
0.328
MAR-TRE-87acfbcc-2
0.328
MAR-TRE-87acfbcc-82
0.328
MAR-TRE-87acfbcc-27
0.328
MAR-TRE-87acfbcc-58
0.328
MAR-TRE-87acfbcc-8
0.328
MAR-TRE-87acfbcc-61
0.324
MAR-TRE-87acfbcc-70
0.323
MAR-TRE-87acfbcc-5
0.319
MAR-TRE-87acfbcc-59
0.319
MAR-TRE-87acfbcc-63
0.319
MAR-TRE-87acfbcc-31
0.316
MAR-TRE-87acfbcc-6
0.313
MAR-TRE-87acfbcc-93
0.313
MAR-TRE-87acfbcc-4
0.312
MAR-TRE-87acfbcc-37
0.312
MAR-TRE-87acfbcc-1
0.309
MAR-TRE-87acfbcc-71
0.308
MAR-TRE-87acfbcc-53
0.306
MAR-TRE-87acfbcc-26
0.305
MAR-TRE-87acfbcc-72
0.304
MAR-TRE-87acfbcc-24
0.304
MAR-TRE-87acfbcc-33
0.303
MAR-TRE-87acfbcc-100
0.303
MAR-TRE-87acfbcc-69
0.302
MAR-TRE-87acfbcc-92
0.297
MAR-TRE-87acfbcc-34
0.296
MAR-TRE-87acfbcc-45
0.292
MAR-TRE-87acfbcc-89
0.292
MAR-TRE-87acfbcc-98
0.292
MAR-TRE-87acfbcc-94
0.292
MAR-TRE-87acfbcc-54
0.290
MAR-TRE-87acfbcc-81
0.289
MAR-TRE-87acfbcc-83
0.288
MAR-TRE-87acfbcc-76
0.284
MAR-TRE-87acfbcc-3
0.278
MAR-TRE-87acfbcc-73
0.278
MAR-TRE-87acfbcc-44
0.278
MAR-TRE-87acfbcc-30
0.277
MAR-TRE-423310b6-15
0.277
MAR-TRE-87acfbcc-85
0.275
MAR-TRE-be9ff7d2-36
0.271
MAR-TRE-a78003aa-66
0.268
MAR-TRE-87acfbcc-39
0.264
MAR-TRE-423310b6-88
0.261
MAR-TRE-87acfbcc-74
0.260
MAR-TRE-423310b6-23
0.257
MAR-TRE-87acfbcc-23
0.256
MAR-TRE-423310b6-49
0.254
MAR-TRE-87acfbcc-84
0.253
MAR-TRE-87acfbcc-52
0.250
MAR-TRE-87acfbcc-64
0.250
MAR-TRE-423310b6-75
0.250
MAR-TRE-87acfbcc-77
0.250
MAR-TRE-87acfbcc-18
0.247
MAR-TRE-423310b6-83
0.246
MAR-TRE-87acfbcc-42
0.243
MAR-TRE-423310b6-26
0.242
MAR-TRE-a78003aa-41
0.240
MAR-TRE-423310b6-21
0.240
MAR-TRE-423310b6-54
0.239
MAR-TRE-87acfbcc-57
0.236