Molecular Properties | |
SMILES: | CC(C)NCc1ccccc1NC(=O)c1cncnc1 |
MW: | 270.15 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 66.91 |
cLogP: | 2.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-30
0.667
MAR-TRE-9d18ae8c-69
0.559
MAR-TRE-9d18ae8c-14
0.551
MAR-TRE-66ac689e-40
0.549
MAR-TRE-9d18ae8c-35
0.543
MAR-TRE-66ac689e-24
0.542
MAR-TRE-799db12b-63
0.472
MAR-TRE-8190bb11-51
0.444
MAR-TRE-799db12b-20
0.432
MAR-TRE-4f781e27-34
0.423
MAR-TRE-9d18ae8c-83
0.423
MAR-TRE-799db12b-60
0.405
MAR-TRE-92684b97-25
0.378
MAR-TRE-be9ff7d2-6
0.377
MAR-TRE-be9ff7d2-68
0.377
MAR-TRE-a9136c7b-34
0.367
MAR-TRE-92684b97-22
0.367
MAR-TRE-9d18ae8c-12
0.365
MAR-TRE-799db12b-16
0.362
MAR-TRE-8190bb11-82
0.359
MAR-TRE-92684b97-54
0.359
MAR-TRE-4f781e27-19
0.355
MAR-TRE-4f781e27-29
0.355
MAR-TRE-66ac689e-50
0.354
MAR-TRE-c317dd82-48
0.352
MAR-TRE-4f781e27-57
0.349
MAR-TRE-66ac689e-47
0.349
MAR-TRE-a9136c7b-12
0.349
MAR-TRE-4f781e27-12
0.347
MAR-TRE-c317dd82-90
0.346
MAR-TRE-799db12b-89
0.346
MAR-TRE-4f781e27-67
0.345
MAR-TRE-4f781e27-49
0.342
MAR-TRE-66ac689e-88
0.342
MAR-TRE-9d18ae8c-73
0.342
MAR-TRE-8190bb11-81
0.342
MAR-TRE-66ac689e-29
0.341
MAR-TRE-66ac689e-76
0.341
MAR-TRE-be9ff7d2-36
0.338
MAR-TRE-8190bb11-72
0.338
MAR-TRE-799db12b-65
0.337
MAR-TRE-9d18ae8c-62
0.337
MAR-TRE-9d18ae8c-30
0.333
MAR-TRE-c317dd82-96
0.333
MAR-TRE-799db12b-86
0.333
MAR-TRE-799db12b-25
0.329
MAR-TRE-9d18ae8c-80
0.329
MAR-TRE-9d18ae8c-25
0.329
MAR-TRE-9d18ae8c-48
0.329
MAR-TRE-8190bb11-62
0.329
MAR-TRE-799db12b-37
0.326
MAR-TRE-a9136c7b-28
0.325
MAR-TRE-e82e6c98-12
0.325
MAR-TRE-8190bb11-11
0.325
MAR-TRE-799db12b-95
0.324
MAR-TRE-799db12b-64
0.322
MAR-TRE-66ac689e-10
0.322
MAR-TRE-a9136c7b-74
0.321
MAR-TRE-8190bb11-4
0.321
MAR-TRE-66ac689e-25
0.321
MAR-TRE-9d18ae8c-54
0.321
BAR-COM-5694a99d-4
0.321
MAR-TRE-799db12b-39
0.321
MAR-TRE-e82e6c98-27
0.320
MAR-TRE-9d18ae8c-59
0.320
MAR-TRE-be9ff7d2-56
0.319
MAR-TRE-c317dd82-21
0.319
MAR-TRE-a9136c7b-10
0.318
MAR-TRE-a9136c7b-57
0.318
MAR-TRE-799db12b-93
0.318
MAR-TRE-4f781e27-40
0.316
MAR-TRE-8190bb11-98
0.316
MAR-TRE-92684b97-66
0.316
MAR-TRE-92684b97-27
0.316
MAR-TRE-e82e6c98-77
0.316
MAR-TRE-92684b97-78
0.315
MAR-TRE-8190bb11-100
0.314
MAR-TRE-9d18ae8c-9
0.314
MAR-TRE-9d18ae8c-70
0.313
MAR-TRE-c317dd82-42
0.313
MAR-TRE-a9136c7b-67
0.313
MAR-TRE-8190bb11-7
0.313
MAR-TRE-4f781e27-28
0.312
MAR-TRE-66ac689e-72
0.312
MAR-TRE-8190bb11-69
0.312
MAR-TRE-e82e6c98-80
0.312
MAR-TRE-4f781e27-32
0.312
MAR-TRE-be9ff7d2-20
0.312
MAR-TRE-66ac689e-57
0.312
MAR-TRE-8190bb11-48
0.312
MAR-TRE-e82e6c98-74
0.312
MAR-TRE-9d18ae8c-61
0.311
MAR-TRE-799db12b-87
0.310
MAR-TRE-66ac689e-45
0.310
MAR-TRE-8190bb11-46
0.310
MAR-TRE-92684b97-96
0.310
MAR-TRE-9d18ae8c-58
0.309
MAR-TRE-4f781e27-54
0.309
MAR-TRE-be9ff7d2-15
0.309
MAR-TRE-9d18ae8c-74
0.309