Molecular Properties | |
SMILES: | CC(=O)NCCNC(=O)c1ccccc1NC(=O)c1cncnc1 |
MW: | 327.13 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 113.08 |
cLogP: | 0.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
MAR-TRE-8190bb11-51
0.683
MAR-TRE-4f781e27-34
0.614
MAR-TRE-9d18ae8c-83
0.614
MAR-TRE-799db12b-60
0.592
MAR-TRE-799db12b-63
0.588
MAR-TRE-92684b97-22
0.506
MAR-TRE-9d18ae8c-14
0.434
MAR-TRE-799db12b-74
0.432
MAR-TRE-66ac689e-30
0.427
MAR-TRE-799db12b-37
0.415
MAR-TRE-9d18ae8c-69
0.403
MAR-TRE-9d18ae8c-35
0.392
MAR-TRE-66ac689e-40
0.383
MAR-TRE-66ac689e-50
0.380
MAR-TRE-66ac689e-24
0.378
MAR-TRE-a9136c7b-34
0.375
MAR-TRE-4f781e27-57
0.373
MAR-TRE-9d18ae8c-12
0.372
MAR-TRE-4f781e27-19
0.364
MAR-TRE-4f781e27-85
0.360
MAR-TRE-c317dd82-56
0.356
MAR-TRE-4f781e27-12
0.355
MAR-TRE-8190bb11-69
0.354
MAR-TRE-92684b97-25
0.353
MAR-TRE-66ac689e-88
0.351
MAR-TRE-8190bb11-96
0.351
MAR-TRE-a9136c7b-73
0.345
MAR-TRE-9d18ae8c-48
0.338
MAR-TRE-4f781e27-67
0.337
MAR-TRE-8190bb11-100
0.337
PET-SGC-2e937068-1
0.333
MAR-TRE-a9136c7b-28
0.333
MAR-TRE-799db12b-38
0.333
MAR-TRE-4f781e27-49
0.333
DOU-UNK-b5326f8f-2
0.329
MAR-TRE-799db12b-39
0.329
MAR-TRE-a9136c7b-30
0.326
MAR-TRE-a9136c7b-12
0.326
MAR-TRE-a9136c7b-65
0.326
MAR-TRE-799db12b-44
0.325
MAR-TRE-66ac689e-35
0.325
MAR-TRE-66ac689e-55
0.325
MAR-TRE-66ac689e-91
0.322
MAR-TRE-c317dd82-90
0.321
MAR-TRE-9d18ae8c-70
0.321
MAR-TRE-66ac689e-72
0.321
MAR-TRE-4f781e27-31
0.321
MAR-TRE-e82e6c98-80
0.321
MAR-TRE-e82e6c98-26
0.321
MAK-UNK-129dcd6f-4
0.318
MAR-TRE-be9ff7d2-15
0.317
MAR-TRE-92684b97-54
0.317
MAR-TRE-9d18ae8c-74
0.317
MAR-TRE-e82e6c98-76
0.316
MAR-TRE-e82e6c98-92
0.315
MAR-TRE-e82e6c98-38
0.314
MAR-TRE-4f781e27-96
0.313
MAR-TRE-be9ff7d2-1
0.312
MAR-TRE-be9ff7d2-36
0.312
MAR-TRE-e82e6c98-30
0.312
MAR-TRE-4f781e27-1
0.311
MAR-TRE-be9ff7d2-56
0.311
MAR-TRE-c317dd82-21
0.311
MAR-TRE-66ac689e-47
0.310
MAR-TRE-799db12b-43
0.310
MAR-TRE-799db12b-93
0.310
MAR-TRE-92684b97-55
0.310
MAR-TRE-92684b97-76
0.309
MAR-TRE-be9ff7d2-90
0.308
MAR-TRE-8190bb11-13
0.308
MAR-TRE-92684b97-21
0.308
MAR-TRE-4f781e27-23
0.307
MAR-TRE-9d18ae8c-39
0.307
MAR-TRE-8190bb11-30
0.306
MAR-TRE-c317dd82-91
0.305
MAR-TRE-c317dd82-92
0.305
MAK-UNK-37f1d6fa-1
0.305
MAR-TRE-a9136c7b-23
0.304
MAR-TRE-66ac689e-57
0.304
MAR-TRE-8190bb11-62
0.304
MAR-TRE-e82e6c98-74
0.304
MAR-TRE-66ac689e-70
0.304
MAR-TRE-9d18ae8c-5
0.303
MAR-TRE-9d18ae8c-61
0.303
MAR-TRE-be9ff7d2-47
0.303
MAR-TRE-8190bb11-46
0.302
MAR-TRE-a9136c7b-89
0.302
MAR-TRE-66ac689e-90
0.302
MAR-TRE-8190bb11-14
0.302
MAR-TRE-4f781e27-81
0.302
MAR-TRE-92684b97-37
0.302
MAR-TRE-9d18ae8c-58
0.301
MAR-TRE-be9ff7d2-68
0.301
MAR-TRE-be9ff7d2-6
0.301
MAR-TRE-be9ff7d2-40
0.301
MAR-TRE-e82e6c98-50
0.301
MAR-TRE-66ac689e-51
0.301
MAR-TRE-8190bb11-82
0.301
MAR-TRE-4f781e27-54
0.301
MAR-TRE-8190bb11-65
0.300