Molecular Properties | |
SMILES: | CN(C)C(=O)c1nn(C2CCOCC2)cc1CNC(=O)c1cncnc1 |
MW: | 358.18 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 102.24 |
cLogP: | 0.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-60
0.471
MAR-TRE-e82e6c98-35
0.458
MAR-TRE-e82e6c98-12
0.395
MAR-TRE-799db12b-7
0.393
MAR-TRE-be9ff7d2-90
0.390
MAR-TRE-799db12b-64
0.387
MAR-TRE-c317dd82-74
0.385
MAR-TRE-799db12b-89
0.382
MAR-TRE-799db12b-65
0.372
MAR-TRE-c317dd82-55
0.372
MAR-TRE-8190bb11-42
0.369
MAR-TRE-c317dd82-11
0.368
MAR-TRE-a9136c7b-54
0.368
MAR-TRE-a9136c7b-17
0.366
MAR-TRE-4f781e27-99
0.365
MAR-TRE-8190bb11-82
0.364
MAR-TRE-be9ff7d2-81
0.363
MAR-TRE-799db12b-52
0.363
MAR-TRE-be9ff7d2-54
0.363
MAR-TRE-e82e6c98-42
0.362
MAR-TRE-e82e6c98-56
0.360
MAR-TRE-e82e6c98-91
0.356
MAR-TRE-a9136c7b-24
0.356
MAR-TRE-c317dd82-49
0.350
MAR-TRE-799db12b-35
0.349
MAR-TRE-92684b97-54
0.348
MAR-TRE-c317dd82-81
0.348
MAR-TRE-e82e6c98-5
0.348
MAR-TRE-e82e6c98-68
0.345
MAR-TRE-be9ff7d2-18
0.344
MAR-TRE-4f781e27-75
0.344
MAR-TRE-a9136c7b-100
0.344
MAR-TRE-799db12b-59
0.344
MAR-TRE-e82e6c98-48
0.341
MAR-TRE-e82e6c98-60
0.341
MAR-TRE-a9136c7b-80
0.340
MAR-TRE-66ac689e-47
0.340
MAR-TRE-e82e6c98-57
0.337
MAR-TRE-e82e6c98-16
0.337
MAR-TRE-66ac689e-12
0.337
MAR-TRE-be9ff7d2-12
0.337
MAR-TRE-e82e6c98-23
0.333
MAR-TRE-8190bb11-85
0.333
MAR-TRE-c317dd82-31
0.333
MAR-TRE-66ac689e-29
0.333
MAR-TRE-8190bb11-24
0.333
MAR-TRE-8190bb11-81
0.333
MAR-TRE-e82e6c98-79
0.330
MAR-TRE-be9ff7d2-1
0.330
MAR-TRE-c317dd82-32
0.327
MAR-TRE-e82e6c98-97
0.326
MAR-TRE-4f781e27-83
0.326
MAR-TRE-9d18ae8c-36
0.326
MAR-TRE-e82e6c98-6
0.326
MAR-TRE-92684b97-11
0.326
MAR-TRE-be9ff7d2-16
0.326
MAR-TRE-8190bb11-13
0.326
MAR-TRE-92684b97-78
0.325
MAR-TRE-be9ff7d2-59
0.324
MAR-TRE-a9136c7b-11
0.324
MAR-TRE-be9ff7d2-99
0.323
MAR-TRE-8190bb11-83
0.323
MAR-TRE-92684b97-53
0.323
MAR-TRE-c317dd82-4
0.323
MAR-TRE-e82e6c98-93
0.323
MAR-TRE-799db12b-27
0.323
MAR-TRE-8190bb11-73
0.323
MAR-TRE-4f781e27-77
0.323
MAR-TRE-be9ff7d2-17
0.322
MAR-TRE-be9ff7d2-11
0.322
MAR-TRE-e82e6c98-26
0.322
MAR-TRE-92684b97-74
0.322
MAR-TRE-a9136c7b-83
0.320
MAR-TRE-c317dd82-37
0.319
MAR-TRE-e82e6c98-64
0.319
MAR-TRE-66ac689e-67
0.319
MAR-TRE-4f781e27-88
0.319
MAR-TRE-4f781e27-90
0.319
MAR-TRE-be9ff7d2-41
0.318
MAR-TRE-be9ff7d2-67
0.317
MAR-TRE-8190bb11-27
0.317
MAR-TRE-c317dd82-83
0.316
MAR-TRE-66ac689e-54
0.316
MAR-TRE-be9ff7d2-82
0.316
MAR-TRE-66ac689e-74
0.316
MAR-TRE-4f781e27-89
0.316
MAR-TRE-e82e6c98-10
0.316
MAR-TRE-c317dd82-40
0.315
MAR-TRE-8190bb11-33
0.315
MAR-TRE-8190bb11-2
0.314
MAR-TRE-e82e6c98-67
0.314
MAR-TRE-c317dd82-22
0.314
MAR-TRE-66ac689e-53
0.313
MAR-TRE-4f781e27-53
0.313
MAR-TRE-c317dd82-33
0.312
MAR-TRE-9d18ae8c-55
0.312
MAR-TRE-c317dd82-25
0.312
MAR-TRE-8190bb11-39
0.312
MAR-TRE-4f781e27-48
0.312
MAR-TRE-c317dd82-10
0.312