Molecular Properties | |
SMILES: | O=C(NCCO)C(=O)NCCOc1csc(CCl)n1 |
MW: | 307.04 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 100.55 |
cLogP: | -0.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
Aliphatic long chain
diketo group
α-Diketones
Filter6_benzyl_halide
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Long aliphatic chain
Oxalyl
Alkyl Halide
MAR-TRE-36bf7dba-20
0.593
MAR-TRE-36bf7dba-46
0.507
MAR-TRE-36bf7dba-7
0.500
MAR-TRE-36bf7dba-86
0.492
MAR-TRE-36bf7dba-70
0.484
MAR-TRE-36bf7dba-80
0.470
MAR-TRE-36bf7dba-8
0.462
MAR-TRE-36bf7dba-12
0.462
MAR-TRE-36bf7dba-33
0.462
MAR-TRE-36bf7dba-81
0.453
MAR-TRE-36bf7dba-45
0.451
MAR-TRE-36bf7dba-100
0.441
MAR-TRE-36bf7dba-39
0.438
MAR-TRE-36bf7dba-6
0.435
MAR-TRE-36bf7dba-3
0.424
MAR-TRE-36bf7dba-2
0.422
MAR-TRE-36bf7dba-11
0.413
MAR-TRE-36bf7dba-5
0.409
MAR-TRE-36bf7dba-25
0.403
MAR-TRE-36bf7dba-60
0.400
MAR-TRE-36bf7dba-96
0.397
MAR-TRE-36bf7dba-15
0.392
MAR-TRE-36bf7dba-50
0.391
MAR-TRE-36bf7dba-10
0.382
MAR-TRE-36bf7dba-38
0.367
MAR-TRE-aca67d11-17
0.362
MAR-TRE-36bf7dba-31
0.352
MAR-TRE-36bf7dba-48
0.348
MAR-TRE-36bf7dba-91
0.348
MAR-TRE-36bf7dba-36
0.347
MAR-TRE-36bf7dba-83
0.347
MAR-TRE-36bf7dba-69
0.343
MAR-TRE-36bf7dba-97
0.343
MAR-TRE-36bf7dba-72
0.342
MAR-TRE-36bf7dba-23
0.338
MAR-TRE-36bf7dba-94
0.338
MAR-TRE-36bf7dba-29
0.338
MAR-TRE-36bf7dba-14
0.333
MAR-TRE-36bf7dba-53
0.333
MAR-TRE-36bf7dba-85
0.329
MAR-TRE-36bf7dba-95
0.329
MAR-TRE-36bf7dba-51
0.329
MAR-TRE-36bf7dba-43
0.329
MAR-TRE-36bf7dba-99
0.329
MAR-TRE-36bf7dba-90
0.329
MAR-TRE-36bf7dba-34
0.324
MAR-TRE-36bf7dba-1
0.324
MAR-TRE-36bf7dba-9
0.324
MAR-TRE-36bf7dba-28
0.320
MAR-TRE-36bf7dba-89
0.315
MAR-TRE-36bf7dba-4
0.315
MAR-TRE-36bf7dba-35
0.312
MAR-TRE-36bf7dba-37
0.312
MAR-TRE-36bf7dba-56
0.308
MAR-TRE-36bf7dba-64
0.308
MAR-TRE-36bf7dba-98
0.308
MAR-TRE-36bf7dba-67
0.307
MAR-TRE-36bf7dba-87
0.307
MAR-TRE-36bf7dba-41
0.307
MAR-TRE-36bf7dba-22
0.303
MAR-TRE-36bf7dba-30
0.303
MAR-TRE-36bf7dba-76
0.300
MAR-TRE-36bf7dba-47
0.300
MAR-TRE-36bf7dba-68
0.300
MAR-TRE-36bf7dba-49
0.300
MAR-TRE-36bf7dba-59
0.299
MAR-TRE-36bf7dba-13
0.298
MAR-TRE-36bf7dba-62
0.297
MAR-TRE-36bf7dba-71
0.296
MAR-TRE-36bf7dba-40
0.295
MAR-TRE-36bf7dba-74
0.291
MAR-TRE-36bf7dba-63
0.289
MAR-TRE-36bf7dba-79
0.288
MAR-TRE-36bf7dba-55
0.287
MAR-TRE-36bf7dba-84
0.287
MAR-TRE-36bf7dba-82
0.287
MAR-TRE-36bf7dba-17
0.287
MAR-TRE-36bf7dba-42
0.282
MAR-TRE-36bf7dba-44
0.280
MAR-TRE-36bf7dba-54
0.280
MAR-TRE-36bf7dba-18
0.280
MAR-TRE-36bf7dba-66
0.279
MAR-TRE-36bf7dba-78
0.277
MAR-TRE-36bf7dba-61
0.277
MAR-TRE-36bf7dba-93
0.275
MAR-TRE-36bf7dba-57
0.275
MAR-TRE-36bf7dba-52
0.274
MAR-TRE-36bf7dba-77
0.274
MAR-TRE-36bf7dba-24
0.272
MAR-TRE-36bf7dba-16
0.271
MAR-TRE-36bf7dba-88
0.265
MAR-TRE-36bf7dba-92
0.264
MAR-TRE-36bf7dba-32
0.262
MAR-TRE-36bf7dba-58
0.262
MAR-TRE-36bf7dba-75
0.261
MAR-TRE-36bf7dba-65
0.259
MAR-TRE-36bf7dba-26
0.245
MAR-TRE-36bf7dba-73
0.240
MAR-TRE-36bf7dba-27
0.238
MAR-TRE-36bf7dba-21
0.235