Molecular Properties | |
SMILES: | CNC(=O)Cn1cc(NC(=O)c2cncnc2)cn1 |
MW: | 260.1 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.8 |
cLogP: | -0.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-91
0.700
MAR-TRE-c317dd82-59
0.652
MAR-TRE-c317dd82-7
0.580
MAR-TRE-be9ff7d2-46
0.500
MAR-TRE-799db12b-39
0.444
MAR-TRE-4f781e27-12
0.380
MAR-TRE-799db12b-43
0.380
MAR-TRE-799db12b-76
0.373
MAR-TRE-be9ff7d2-83
0.370
MAR-TRE-8190bb11-69
0.360
MAR-TRE-e82e6c98-16
0.360
MAR-TRE-4f781e27-49
0.357
MAR-TRE-66ac689e-88
0.356
MAR-TRE-66ac689e-76
0.354
MAR-TRE-799db12b-37
0.354
MAR-TRE-be9ff7d2-36
0.352
MAR-TRE-e82e6c98-19
0.351
MAR-TRE-e82e6c98-7
0.347
MAR-TRE-c317dd82-6
0.346
MAR-TRE-66ac689e-8
0.346
MAR-TRE-92684b97-55
0.346
MAR-TRE-799db12b-86
0.346
MAR-TRE-4f781e27-31
0.342
MAR-TRE-c317dd82-63
0.338
MAR-TRE-8190bb11-11
0.338
MAR-TRE-66ac689e-98
0.338
MAR-TRE-e82e6c98-12
0.338
MAR-TRE-66ac689e-51
0.338
MAR-TRE-9d18ae8c-58
0.338
MAR-TRE-66ac689e-31
0.338
MAR-TRE-be9ff7d2-94
0.333
MAR-TRE-8190bb11-4
0.333
MAR-TRE-04c86cea-40
0.333
MAR-TRE-be9ff7d2-56
0.333
MAR-TRE-c317dd82-36
0.333
MAR-TRE-66ac689e-37
0.333
MAR-TRE-66ac689e-89
0.333
MAR-TRE-c317dd82-56
0.329
MAR-TRE-4f781e27-1
0.329
MAR-TRE-c317dd82-16
0.329
MAR-TRE-4f781e27-47
0.329
MAR-TRE-9d18ae8c-53
0.329
MAR-TRE-8190bb11-51
0.329
MAR-TRE-4f781e27-43
0.329
MAR-TRE-be9ff7d2-44
0.329
MAR-TRE-799db12b-25
0.325
MAR-TRE-799db12b-40
0.325
MAR-TRE-8190bb11-7
0.325
MAR-TRE-c317dd82-54
0.325
MAR-TRE-9d18ae8c-48
0.325
MAR-TRE-66ac689e-30
0.325
MAR-TRE-66ac689e-72
0.325
MAR-TRE-e82e6c98-26
0.324
MAR-TRE-e82e6c98-72
0.324
MAR-TRE-be9ff7d2-49
0.324
MAR-TRE-9d18ae8c-11
0.321
MAR-TRE-a9136c7b-42
0.321
MAR-TRE-a9136c7b-28
0.321
MAR-TRE-e82e6c98-50
0.321
MAR-TRE-799db12b-20
0.321
MAR-TRE-8190bb11-82
0.321
MAR-TRE-4f781e27-25
0.320
MAR-TRE-be9ff7d2-25
0.320
MAR-TRE-8190bb11-65
0.320
MAR-TRE-e82e6c98-76
0.320
MAR-TRE-4f781e27-84
0.320
MAR-TRE-9d18ae8c-15
0.320
MAR-TRE-e82e6c98-41
0.319
MAR-TRE-c317dd82-23
0.318
MAR-TRE-799db12b-26
0.318
MAR-TRE-e82e6c98-38
0.317
MAR-TRE-799db12b-2
0.317
MAR-TRE-799db12b-24
0.317
MAR-TRE-799db12b-33
0.317
MAR-TRE-66ac689e-25
0.317
MAR-TRE-9d18ae8c-18
0.317
MAR-TRE-9d18ae8c-54
0.317
MAR-TRE-9d18ae8c-29
0.316
MAR-TRE-e82e6c98-56
0.316
MAR-TRE-9d18ae8c-2
0.316
MAR-TRE-e82e6c98-27
0.315
MAR-TRE-c317dd82-21
0.314
MAR-TRE-a9136c7b-5
0.314
MAR-TRE-a9136c7b-9
0.314
MAR-TRE-a9136c7b-10
0.314
MAR-TRE-c317dd82-26
0.313
MAR-TRE-a9136c7b-57
0.313
MAR-TRE-799db12b-34
0.313
MAR-TRE-799db12b-93
0.313
MAR-TRE-66ac689e-65
0.313
MAR-TRE-8190bb11-21
0.313
MAR-TRE-4f781e27-2
0.313
MAR-TRE-4f781e27-57
0.313
MAR-TRE-92684b97-46
0.313
MAR-TRE-4f781e27-60
0.313
MAR-TRE-92684b97-89
0.312
MAR-TRE-be9ff7d2-43
0.312
MAR-TRE-c317dd82-55
0.312
MAR-TRE-e82e6c98-100
0.312
MAR-TRE-799db12b-84
0.312