Molecular Properties | |
SMILES: | CN(C)C(=O)NCCc1ccc(NC(=O)c2cncnc2)cc1 |
MW: | 313.15 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.22 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-12
0.522
MAR-TRE-66ac689e-88
0.493
MAR-TRE-66ac689e-51
0.486
MAR-TRE-9d18ae8c-58
0.466
MAR-TRE-4f781e27-31
0.452
MAR-TRE-9d18ae8c-29
0.440
MAR-TRE-8190bb11-7
0.429
MAR-TRE-4f781e27-1
0.410
MAR-TRE-c317dd82-56
0.393
MAR-TRE-799db12b-27
0.392
MAR-TRE-9d18ae8c-15
0.392
MAR-TRE-8190bb11-65
0.392
MAR-TRE-a9136c7b-89
0.388
MAR-TRE-799db12b-17
0.384
MAR-TRE-a9136c7b-9
0.376
MAR-TRE-92684b97-25
0.373
MAR-TRE-66ac689e-2
0.367
MAR-TRE-8190bb11-95
0.362
MAR-TRE-799db12b-93
0.361
MAR-TRE-e82e6c98-80
0.360
WIL-UNI-5578df48-37
0.360
MAR-TRE-4f781e27-49
0.356
MAR-TRE-799db12b-35
0.355
WIL-UNI-5578df48-14
0.354
MAR-TRE-e82e6c98-50
0.354
MAR-TRE-799db12b-20
0.354
MAR-TRE-66ac689e-31
0.354
MAR-TRE-799db12b-37
0.353
MAR-TRE-799db12b-39
0.350
MAR-TRE-66ac689e-89
0.349
MAR-TRE-799db12b-26
0.349
MAR-TRE-4f781e27-85
0.347
MAR-TRE-8190bb11-13
0.347
MAR-TRE-799db12b-84
0.346
MAR-TRE-c317dd82-91
0.342
MAR-TRE-8190bb11-85
0.338
MAR-TRE-8190bb11-24
0.338
MAR-TRE-c317dd82-63
0.338
MAR-TRE-9d18ae8c-89
0.338
MAR-TRE-4f781e27-16
0.338
MAR-TRE-8190bb11-4
0.333
MAR-TRE-8190bb11-97
0.333
MAR-TRE-be9ff7d2-56
0.333
MAR-TRE-e82e6c98-38
0.333
MAR-TRE-799db12b-24
0.333
AAR-UNI-c25c2f1e-90
0.333
MAR-TRE-9d18ae8c-83
0.333
MAR-TRE-4f781e27-36
0.333
MAR-TRE-c317dd82-16
0.329
MAR-TRE-c317dd82-59
0.329
MAR-TRE-4f781e27-60
0.329
MAR-TRE-799db12b-43
0.329
MAR-TRE-8190bb11-68
0.329
MAR-TRE-4f781e27-2
0.329
MAR-TRE-4f781e27-47
0.329
MAR-TRE-92684b97-55
0.329
MAR-TRE-92684b97-88
0.329
MAR-TRE-8190bb11-51
0.329
MAR-TRE-4f781e27-43
0.329
MAR-TRE-92684b97-78
0.329
MAR-TRE-799db12b-40
0.326
MAR-TRE-66ac689e-30
0.325
MAR-TRE-4f781e27-39
0.325
MAR-TRE-9d18ae8c-11
0.322
MAR-TRE-799db12b-87
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-9d18ae8c-74
0.321
MAR-TRE-e82e6c98-76
0.321
MAR-TRE-92684b97-41
0.321
MAR-TRE-4f781e27-99
0.321
MAR-TRE-e82e6c98-41
0.320
MAR-TRE-c317dd82-23
0.319
MAR-TRE-a9136c7b-64
0.318
MAR-TRE-799db12b-2
0.318
MAR-TRE-4f781e27-34
0.318
MAR-TRE-be9ff7d2-46
0.318
MAR-TRE-9d18ae8c-18
0.318
MAR-TRE-9d18ae8c-14
0.317
MAR-TRE-66ac689e-37
0.317
MAR-TRE-4f781e27-58
0.317
MAR-TRE-be9ff7d2-83
0.316
MAR-TRE-66ac689e-59
0.316
MAR-TRE-4f781e27-29
0.316
MAR-TRE-be9ff7d2-36
0.316
MAR-TRE-9d18ae8c-10
0.315
MAR-TRE-c317dd82-7
0.314
MAR-TRE-a9136c7b-78
0.314
MAR-TRE-799db12b-86
0.314
MAR-TRE-4f781e27-48
0.314
MAR-TRE-9d18ae8c-35
0.313
MAR-TRE-9d18ae8c-53
0.313
MAR-TRE-66ac689e-8
0.313
MAR-TRE-66ac689e-20
0.313
ANT-DIA-b7f58f21-4
0.312
MAR-TRE-e82e6c98-75
0.312
MAR-TRE-92684b97-11
0.312
MAR-TRE-799db12b-74
0.312
MAR-TRE-e82e6c98-54
0.312
MAR-TRE-c317dd82-68
0.311
MAR-TRE-9d18ae8c-7
0.310