Molecular Properties | |
SMILES: | NCC(CCC(N)C(=O)O)Oc1csc(CCl)n1 |
MW: | 293.06 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 111.46 |
cLogP: | 0.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
amino acid
Long aliphatic chain
Alkyl Halide
MAR-TRE-36bf7dba-48
0.525
MAR-TRE-36bf7dba-22
0.478
MAR-TRE-36bf7dba-69
0.469
MAR-TRE-36bf7dba-23
0.462
MAR-TRE-36bf7dba-1
0.441
MAR-TRE-36bf7dba-62
0.433
MAR-TRE-36bf7dba-90
0.431
MAR-TRE-36bf7dba-67
0.420
MAR-TRE-36bf7dba-35
0.419
MAR-TRE-36bf7dba-78
0.413
MAR-TRE-36bf7dba-43
0.409
MAR-TRE-36bf7dba-14
0.408
MAR-TRE-36bf7dba-76
0.405
MAR-TRE-36bf7dba-41
0.400
MAR-TRE-36bf7dba-71
0.400
MAR-TRE-36bf7dba-30
0.394
MAR-TRE-36bf7dba-37
0.384
MAR-TRE-36bf7dba-79
0.382
MAR-TRE-36bf7dba-9
0.382
MAR-TRE-36bf7dba-89
0.371
MAR-TRE-36bf7dba-91
0.368
MAR-TRE-36bf7dba-99
0.368
MAR-TRE-36bf7dba-36
0.366
MAR-TRE-36bf7dba-97
0.362
MAR-TRE-36bf7dba-87
0.361
MAR-TRE-36bf7dba-56
0.360
MAR-TRE-36bf7dba-93
0.360
MAR-TRE-36bf7dba-55
0.355
MAR-TRE-36bf7dba-31
0.352
MAR-TRE-36bf7dba-53
0.352
MAR-TRE-36bf7dba-4
0.352
MAR-TRE-36bf7dba-59
0.351
MAR-TRE-36bf7dba-47
0.351
MAR-TRE-36bf7dba-68
0.351
MAR-TRE-36bf7dba-81
0.348
MAR-TRE-36bf7dba-88
0.346
MAR-TRE-36bf7dba-57
0.342
MAR-TRE-36bf7dba-98
0.342
MAR-TRE-36bf7dba-12
0.338
MAR-TRE-36bf7dba-28
0.338
MAR-TRE-36bf7dba-65
0.338
MAR-TRE-36bf7dba-95
0.329
MAR-TRE-36bf7dba-40
0.329
MAR-TRE-36bf7dba-51
0.329
MAR-TRE-36bf7dba-6
0.328
MAR-TRE-36bf7dba-92
0.325
MAR-TRE-36bf7dba-11
0.325
MAR-TRE-36bf7dba-58
0.325
MAR-TRE-36bf7dba-60
0.324
MAR-TRE-36bf7dba-19
0.324
MAR-TRE-36bf7dba-29
0.321
MAR-TRE-36bf7dba-94
0.321
MAR-TRE-36bf7dba-49
0.319
MAR-TRE-36bf7dba-50
0.315
MAR-TRE-36bf7dba-70
0.314
MAR-TRE-36bf7dba-64
0.308
MAR-TRE-36bf7dba-74
0.308
MAR-TRE-36bf7dba-63
0.305
MAR-TRE-36bf7dba-7
0.304
MAR-TRE-36bf7dba-45
0.304
MAR-TRE-36bf7dba-84
0.304
MAR-TRE-36bf7dba-8
0.301
MAR-TRE-36bf7dba-86
0.300
MAR-TRE-36bf7dba-39
0.296
MAR-TRE-36bf7dba-44
0.296
MAR-TRE-36bf7dba-54
0.296
MAR-TRE-36bf7dba-80
0.293
MAR-TRE-36bf7dba-52
0.289
MAR-TRE-36bf7dba-20
0.288
MAR-TRE-36bf7dba-38
0.286
MAR-TRE-36bf7dba-26
0.284
MAR-TRE-36bf7dba-33
0.284
MAR-TRE-36bf7dba-42
0.282
MAR-TRE-423310b6-19
0.282
MAR-TRE-36bf7dba-2
0.282
MAR-TRE-36bf7dba-85
0.280
MAR-TRE-36bf7dba-10
0.280
MAR-TRE-36bf7dba-66
0.279
MAR-TRE-36bf7dba-46
0.279
MAR-TRE-36bf7dba-75
0.276
MAR-TRE-36bf7dba-27
0.276
MAR-TRE-36bf7dba-96
0.275
MAR-TRE-36bf7dba-5
0.274
MAR-TRE-36bf7dba-21
0.273
MAR-TRE-36bf7dba-82
0.273
MAR-TRE-36bf7dba-100
0.273
MAR-TRE-36bf7dba-15
0.272
MAR-TRE-36bf7dba-13
0.271
MAR-TRE-36bf7dba-3
0.270
MAR-TRE-aca67d11-100
0.268
MAR-TRE-36bf7dba-73
0.266
MAR-TRE-36bf7dba-61
0.263
MAR-TRE-87acfbcc-61
0.263
MAR-TRE-36bf7dba-83
0.263
MAR-TRE-36bf7dba-25
0.263
MAR-TRE-36bf7dba-77
0.260
MAR-TRE-aca67d11-74
0.260
MAR-TRE-423310b6-85
0.260
MAR-TRE-423310b6-47
0.259
MAR-TRE-423310b6-92
0.259