Molecular Properties | |
SMILES: | Cc1nc(C(NC(=O)c2cncnc2)c2cnn(C)c2)no1 |
MW: | 299.11 |
Fraction sp3: | 0.23 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 111.62 |
cLogP: | 0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-31
0.657
MAR-TRE-66ac689e-94
0.643
MAR-TRE-4f781e27-51
0.643
MAR-TRE-66ac689e-64
0.634
MAR-TRE-a9136c7b-21
0.588
MAR-TRE-a9136c7b-26
0.577
MAR-TRE-a9136c7b-77
0.547
MAR-TRE-66ac689e-36
0.545
MAR-TRE-799db12b-85
0.512
MAR-TRE-be9ff7d2-47
0.425
MAR-TRE-66ac689e-82
0.402
MAR-TRE-66ac689e-60
0.402
MAR-TRE-a9136c7b-93
0.398
MAR-TRE-66ac689e-100
0.395
MAR-TRE-92684b97-95
0.370
MAR-TRE-66ac689e-56
0.365
MAR-TRE-e82e6c98-30
0.359
MAR-TRE-9d18ae8c-37
0.357
MAR-TRE-66ac689e-85
0.357
MAR-TRE-92684b97-36
0.356
MAR-TRE-799db12b-28
0.356
MAR-TRE-e82e6c98-100
0.354
MAR-TRE-92684b97-100
0.349
MAR-TRE-799db12b-31
0.349
MAR-TRE-8190bb11-89
0.349
MAR-TRE-be9ff7d2-29
0.345
MAR-TRE-66ac689e-58
0.342
MAR-TRE-e82e6c98-71
0.341
MAR-TRE-92684b97-77
0.341
MAR-TRE-8190bb11-67
0.341
MAR-TRE-be9ff7d2-55
0.341
MAR-TRE-92684b97-56
0.338
MAR-TRE-c317dd82-96
0.338
MAR-TRE-9d18ae8c-41
0.337
MAR-TRE-be9ff7d2-97
0.337
MAR-TRE-a9136c7b-35
0.337
MAR-TRE-9d18ae8c-22
0.337
MAR-TRE-a9136c7b-69
0.337
MAR-TRE-92684b97-86
0.333
MAR-TRE-be9ff7d2-77
0.333
MAR-TRE-c317dd82-54
0.333
MAR-TRE-c317dd82-62
0.333
MAR-TRE-66ac689e-57
0.333
MAR-TRE-e82e6c98-13
0.329
MAR-TRE-92684b97-80
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-9d18ae8c-4
0.326
MAR-TRE-a9136c7b-74
0.326
MAR-TRE-e82e6c98-59
0.326
MAR-TRE-9d18ae8c-99
0.326
MAR-TRE-e82e6c98-34
0.326
MAR-TRE-9d18ae8c-57
0.326
MAR-TRE-799db12b-100
0.326
MAR-TRE-66ac689e-18
0.325
MAR-TRE-66ac689e-3
0.325
MAR-TRE-be9ff7d2-3
0.325
MAR-TRE-8190bb11-5
0.325
MAR-TRE-9d18ae8c-59
0.325
MAR-TRE-92684b97-63
0.325
MAR-TRE-e82e6c98-43
0.325
MAR-TRE-4f781e27-70
0.325
MAR-TRE-799db12b-19
0.323
MAR-TRE-799db12b-78
0.322
MAR-TRE-4f781e27-20
0.322
MAR-TRE-c317dd82-24
0.322
MAR-TRE-92684b97-71
0.321
MAR-TRE-9d18ae8c-67
0.321
MAR-TRE-be9ff7d2-16
0.321
MAR-TRE-4f781e27-86
0.321
MAR-TRE-66ac689e-95
0.321
MAR-TRE-c317dd82-48
0.321
MAR-TRE-799db12b-62
0.319
MAR-TRE-e82e6c98-52
0.318
MAR-TRE-be9ff7d2-35
0.318
MAR-TRE-4f781e27-68
0.318
MAR-TRE-799db12b-94
0.318
MAR-TRE-799db12b-46
0.318
MAR-TRE-c317dd82-94
0.318
MAR-TRE-66ac689e-42
0.318
MAR-TRE-92684b97-1
0.315
MAR-TRE-799db12b-8
0.315
MAR-TRE-9d18ae8c-92
0.315
MAR-TRE-92684b97-32
0.315
MAR-TRE-92684b97-93
0.315
MAR-TRE-a9136c7b-52
0.315
MAR-TRE-a9136c7b-62
0.315
MAR-TRE-c317dd82-71
0.315
MAR-TRE-92684b97-15
0.314
MAR-TRE-92684b97-85
0.314
MAR-TRE-8190bb11-56
0.314
MAR-TRE-9d18ae8c-21
0.313
MAR-TRE-9d18ae8c-85
0.313
MAR-TRE-92684b97-41
0.313
MAR-TRE-8190bb11-11
0.313
MAR-TRE-8190bb11-47
0.313
MAR-TRE-e82e6c98-70
0.312
MAR-TRE-4f781e27-9
0.312
MAR-TRE-8190bb11-35
0.312
MAR-TRE-799db12b-82
0.311
MAR-TRE-66ac689e-71
0.310