Molecular Properties | |
SMILES: | O=c1n(CCO)c(=O)n(CCOc2csc(CCl)n2)c(=O)n1CCO |
MW: | 392.06 |
Fraction sp3: | 0.54 |
HBA: | 11 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 128.58 |
cLogP: | -1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Filter82_pyridinium
Alkyl Halide
MAR-TRE-36bf7dba-70
0.517
MAR-TRE-36bf7dba-7
0.508
MAR-TRE-36bf7dba-86
0.500
MAR-TRE-36bf7dba-8
0.492
MAR-TRE-36bf7dba-20
0.476
MAR-TRE-36bf7dba-19
0.470
MAR-TRE-36bf7dba-33
0.469
MAR-TRE-36bf7dba-100
0.448
MAR-TRE-36bf7dba-10
0.444
MAR-TRE-36bf7dba-6
0.443
MAR-TRE-36bf7dba-45
0.437
MAR-TRE-36bf7dba-2
0.429
MAR-TRE-36bf7dba-25
0.429
MAR-TRE-36bf7dba-38
0.427
MAR-TRE-36bf7dba-81
0.415
MAR-TRE-36bf7dba-5
0.415
MAR-TRE-36bf7dba-3
0.409
MAR-TRE-36bf7dba-12
0.403
MAR-TRE-36bf7dba-50
0.397
MAR-TRE-36bf7dba-83
0.389
MAR-TRE-36bf7dba-60
0.386
MAR-TRE-36bf7dba-39
0.368
MAR-TRE-36bf7dba-96
0.365
MAR-TRE-36bf7dba-46
0.362
MAR-TRE-36bf7dba-15
0.360
MAR-TRE-36bf7dba-90
0.353
MAR-TRE-36bf7dba-85
0.351
MAR-TRE-36bf7dba-9
0.348
MAR-TRE-36bf7dba-72
0.347
MAR-TRE-36bf7dba-23
0.343
MAR-TRE-36bf7dba-28
0.342
MAR-TRE-36bf7dba-94
0.342
MAR-TRE-36bf7dba-14
0.338
MAR-TRE-36bf7dba-99
0.333
MAR-TRE-36bf7dba-91
0.333
MAR-TRE-36bf7dba-95
0.333
MAR-TRE-36bf7dba-40
0.333
MAR-TRE-36bf7dba-43
0.333
MAR-TRE-36bf7dba-11
0.329
MAR-TRE-36bf7dba-64
0.329
MAR-TRE-36bf7dba-1
0.329
MAR-TRE-36bf7dba-87
0.329
MAR-TRE-36bf7dba-69
0.329
MAR-TRE-36bf7dba-97
0.329
MAR-TRE-36bf7dba-22
0.324
MAR-TRE-36bf7dba-47
0.321
MAR-TRE-36bf7dba-31
0.319
MAR-TRE-36bf7dba-89
0.319
MAR-TRE-36bf7dba-53
0.319
MAR-TRE-36bf7dba-4
0.319
MAR-TRE-36bf7dba-24
0.318
MAR-TRE-36bf7dba-37
0.316
MAR-TRE-36bf7dba-36
0.315
MAR-TRE-36bf7dba-51
0.315
MAR-TRE-36bf7dba-48
0.314
MAR-TRE-36bf7dba-18
0.311
MAR-TRE-36bf7dba-67
0.311
MAR-TRE-36bf7dba-41
0.311
MAR-TRE-36bf7dba-79
0.310
MAR-TRE-36bf7dba-61
0.308
MAR-TRE-36bf7dba-30
0.307
MAR-TRE-36bf7dba-49
0.304
MAR-TRE-36bf7dba-17
0.304
MAR-TRE-36bf7dba-77
0.304
MAR-TRE-36bf7dba-76
0.304
MAR-TRE-36bf7dba-59
0.303
MAR-TRE-36bf7dba-62
0.301
MAR-TRE-36bf7dba-13
0.301
MAR-TRE-36bf7dba-16
0.301
MAR-TRE-36bf7dba-35
0.300
MAR-TRE-36bf7dba-44
0.300
MAR-TRE-36bf7dba-56
0.295
MAR-TRE-36bf7dba-93
0.295
MAR-TRE-36bf7dba-74
0.295
MAR-TRE-36bf7dba-98
0.295
MAR-TRE-36bf7dba-34
0.293
MAR-TRE-36bf7dba-52
0.293
MAR-TRE-36bf7dba-84
0.291
MAR-TRE-36bf7dba-29
0.291
MAR-TRE-36bf7dba-55
0.291
MAR-TRE-36bf7dba-68
0.287
MAR-TRE-36bf7dba-54
0.284
MAR-TRE-36bf7dba-66
0.282
MAR-TRE-36bf7dba-78
0.280
MAR-TRE-36bf7dba-32
0.280
MAR-TRE-36bf7dba-63
0.277
MAR-TRE-36bf7dba-65
0.277
MAR-TRE-36bf7dba-42
0.271
MAR-TRE-36bf7dba-71
0.268
MAR-TRE-36bf7dba-88
0.268
MAR-TRE-36bf7dba-58
0.265
MAR-TRE-36bf7dba-75
0.264
MAR-TRE-36bf7dba-57
0.263
MAR-TRE-36bf7dba-82
0.261
MAR-TRE-36bf7dba-73
0.255
MAR-TRE-36bf7dba-92
0.239
MAR-TRE-36bf7dba-26
0.235
MAR-TRE-36bf7dba-27
0.228
MAR-TRE-36bf7dba-21
0.225
MAR-TRE-fffca54f-83
0.211