Molecular Properties | |
SMILES: | O=C(O)CNCCNCC(=O)Oc1csc(CCl)n1 |
MW: | 307.04 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 100.55 |
cLogP: | 0.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Carboxylic acid esters
Filter6_benzyl_halide
Ester
Long aliphatic chain
Unbranched chain
Alkyl Halide
MAR-TRE-36bf7dba-97
0.804
MAR-TRE-36bf7dba-91
0.569
MAR-TRE-36bf7dba-53
0.567
MAR-TRE-36bf7dba-43
0.542
MAR-TRE-36bf7dba-99
0.542
MAR-TRE-36bf7dba-9
0.533
MAR-TRE-36bf7dba-87
0.524
MAR-TRE-36bf7dba-89
0.516
MAR-TRE-36bf7dba-41
0.500
MAR-TRE-36bf7dba-4
0.492
MAR-TRE-36bf7dba-51
0.484
MAR-TRE-36bf7dba-22
0.470
MAR-TRE-36bf7dba-76
0.457
MAR-TRE-36bf7dba-95
0.456
MAR-TRE-36bf7dba-28
0.448
MAR-TRE-36bf7dba-82
0.447
MAR-TRE-36bf7dba-90
0.444
MAR-TRE-36bf7dba-36
0.439
MAR-TRE-36bf7dba-69
0.438
MAR-TRE-36bf7dba-40
0.435
MAR-TRE-36bf7dba-23
0.431
MAR-TRE-36bf7dba-54
0.431
MAR-TRE-36bf7dba-64
0.429
MAR-TRE-36bf7dba-74
0.429
MAR-TRE-36bf7dba-84
0.423
MAR-TRE-36bf7dba-52
0.419
MAR-TRE-36bf7dba-68
0.417
MAR-TRE-36bf7dba-20
0.415
MAR-TRE-36bf7dba-1
0.412
MAR-TRE-36bf7dba-67
0.412
MAR-TRE-36bf7dba-44
0.411
MAR-TRE-36bf7dba-30
0.406
MAR-TRE-36bf7dba-75
0.397
MAR-TRE-36bf7dba-37
0.394
MAR-TRE-36bf7dba-42
0.390
MAR-TRE-36bf7dba-56
0.389
MAR-TRE-36bf7dba-66
0.385
MAR-TRE-36bf7dba-14
0.380
MAR-TRE-36bf7dba-11
0.368
MAR-TRE-36bf7dba-12
0.368
MAR-TRE-36bf7dba-63
0.364
MAR-TRE-36bf7dba-47
0.360
MAR-TRE-36bf7dba-81
0.358
MAR-TRE-36bf7dba-48
0.358
MAR-TRE-36bf7dba-34
0.352
MAR-TRE-36bf7dba-19
0.352
MAR-TRE-36bf7dba-78
0.351
MAR-TRE-36bf7dba-73
0.345
MAR-TRE-36bf7dba-35
0.338
MAR-TRE-36bf7dba-26
0.333
MAR-TRE-36bf7dba-29
0.329
MAR-TRE-36bf7dba-27
0.323
MAR-TRE-36bf7dba-39
0.321
MAR-TRE-36bf7dba-88
0.321
MAR-TRE-36bf7dba-71
0.321
MAR-TRE-36bf7dba-80
0.319
MAR-TRE-36bf7dba-21
0.319
MAR-TRE-36bf7dba-93
0.316
MAR-TRE-36bf7dba-98
0.316
MAR-TRE-36bf7dba-96
0.316
MAR-TRE-36bf7dba-60
0.315
MAR-TRE-36bf7dba-7
0.313
MAR-TRE-36bf7dba-65
0.312
MAR-TRE-36bf7dba-2
0.309
MAR-TRE-36bf7dba-86
0.309
MAR-TRE-36bf7dba-49
0.309
MAR-TRE-36bf7dba-59
0.307
MAR-TRE-36bf7dba-62
0.306
MAR-TRE-36bf7dba-70
0.304
MAR-TRE-36bf7dba-85
0.304
MAR-TRE-36bf7dba-25
0.303
MAR-TRE-423310b6-13
0.301
MAR-TRE-36bf7dba-46
0.301
MAR-TRE-36bf7dba-92
0.301
MAR-TRE-36bf7dba-57
0.299
MAR-TRE-36bf7dba-6
0.299
MAR-TRE-36bf7dba-79
0.296
MAR-TRE-36bf7dba-3
0.296
MAR-TRE-36bf7dba-55
0.295
MAR-TRE-36bf7dba-94
0.295
MAR-TRE-36bf7dba-8
0.292
MAR-TRE-36bf7dba-33
0.292
MAR-TRE-36bf7dba-50
0.288
MAR-TRE-36bf7dba-83
0.286
MAR-TRE-36bf7dba-58
0.284
MAR-TRE-36bf7dba-5
0.282
MAR-TRE-36bf7dba-100
0.280
MAR-TRE-36bf7dba-45
0.278
MAR-TRE-36bf7dba-10
0.272
MAR-TRE-36bf7dba-32
0.268
MAR-TRE-36bf7dba-17
0.266
MAR-TRE-36bf7dba-72
0.266
MAR-TRE-36bf7dba-15
0.263
MAR-TRE-36bf7dba-38
0.262
MAR-TRE-87acfbcc-74
0.260
MAR-TRE-36bf7dba-61
0.255
MAR-TRE-36bf7dba-77
0.253
MAR-TRE-36bf7dba-13
0.250
MAR-TRE-423310b6-17
0.247
MAR-TRE-423310b6-89
0.246