Molecular Properties | |
SMILES: | O=C(O)Cc1ccc(CNC(=O)c2cncnc2)cc1 |
MW: | 271.1 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.18 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-89
0.649
MAR-TRE-8190bb11-24
0.607
MAR-TRE-8190bb11-85
0.607
MAR-TRE-4f781e27-99
0.593
MAR-TRE-8190bb11-13
0.586
MAR-TRE-799db12b-35
0.567
MAR-TRE-66ac689e-20
0.562
MAR-TRE-8190bb11-50
0.557
MAR-TRE-66ac689e-26
0.556
MAR-TRE-66ac689e-21
0.554
MAR-TRE-799db12b-52
0.545
MAR-TRE-66ac689e-12
0.492
MAR-TRE-799db12b-72
0.486
MAR-TRE-4f781e27-85
0.484
MAR-TRE-92684b97-11
0.477
MAR-TRE-e82e6c98-23
0.469
MAR-TRE-799db12b-84
0.455
MAR-TRE-8190bb11-42
0.453
MAR-TRE-9d18ae8c-18
0.451
MAR-TRE-4f781e27-92
0.449
MAR-TRE-be9ff7d2-17
0.448
MAR-TRE-9d18ae8c-52
0.444
MAR-TRE-8190bb11-86
0.443
MAR-TRE-9d18ae8c-6
0.443
MAR-TRE-799db12b-16
0.443
MAR-TRE-be9ff7d2-90
0.438
MAR-TRE-e82e6c98-54
0.438
MAR-TRE-4f781e27-88
0.437
MAR-TRE-66ac689e-37
0.435
MAR-TRE-66ac689e-73
0.435
MAR-TRE-be9ff7d2-67
0.433
MAR-TRE-92684b97-81
0.429
MAR-TRE-9d18ae8c-53
0.429
MAR-TRE-799db12b-44
0.429
MAR-TRE-8190bb11-99
0.423
MAR-TRE-799db12b-27
0.423
MAR-TRE-92684b97-82
0.423
MAR-TRE-e82e6c98-68
0.422
MAR-TRE-8190bb11-81
0.420
MAR-TRE-66ac689e-1
0.419
MAR-TRE-799db12b-76
0.416
MAR-TRE-92684b97-66
0.415
MAR-TRE-9d18ae8c-43
0.413
MAR-TRE-9d18ae8c-83
0.411
MAR-TRE-799db12b-2
0.411
MAR-TRE-799db12b-33
0.411
MAR-TRE-9d18ae8c-46
0.411
MAR-TRE-9d18ae8c-54
0.411
MAR-TRE-799db12b-24
0.411
MAR-TRE-8190bb11-34
0.411
MAR-TRE-799db12b-3
0.411
MAR-TRE-4f781e27-12
0.409
MAR-TRE-92684b97-74
0.409
MAR-TRE-be9ff7d2-11
0.409
MAR-TRE-e82e6c98-57
0.409
MAR-TRE-e82e6c98-91
0.408
MAR-TRE-9d18ae8c-34
0.408
MAR-TRE-799db12b-97
0.408
MAR-TRE-4f781e27-49
0.406
MAR-TRE-4f781e27-28
0.406
MAR-TRE-a9136c7b-54
0.406
MAR-TRE-9d18ae8c-30
0.405
MAR-TRE-9d18ae8c-36
0.405
MAR-TRE-66ac689e-33
0.405
MAR-TRE-8190bb11-80
0.405
MAR-TRE-4f781e27-2
0.405
MAR-TRE-4f781e27-83
0.405
MAR-TRE-8190bb11-88
0.403
MAR-TRE-92684b97-53
0.403
MAR-TRE-9d18ae8c-49
0.403
MAR-TRE-9d18ae8c-65
0.403
MAR-TRE-92684b97-54
0.400
MAR-TRE-9d18ae8c-7
0.400
MAR-TRE-8190bb11-82
0.400
MAR-TRE-9d18ae8c-74
0.400
MAR-TRE-9d18ae8c-16
0.397
MAR-TRE-799db12b-7
0.397
MAR-TRE-9d18ae8c-81
0.397
MAR-TRE-92684b97-75
0.397
MAR-TRE-799db12b-51
0.395
MAR-TRE-8190bb11-8
0.395
MAR-TRE-8190bb11-31
0.395
MAR-TRE-9d18ae8c-11
0.395
MAR-TRE-799db12b-69
0.395
MAR-TRE-4f781e27-100
0.394
MAR-TRE-a9136c7b-100
0.392
MAR-TRE-92684b97-64
0.392
MAR-TRE-92684b97-72
0.391
MAR-TRE-c317dd82-55
0.391
MAR-TRE-799db12b-14
0.390
MAR-TRE-66ac689e-54
0.390
MAR-TRE-92684b97-6
0.390
MAR-TRE-8190bb11-40
0.389
MAR-TRE-a9136c7b-24
0.389
MAR-TRE-a9136c7b-31
0.388
MAR-TRE-66ac689e-47
0.387
MAR-TRE-4f781e27-48
0.387
MAR-TRE-a9136c7b-80
0.387
MAR-TRE-9d18ae8c-10
0.385
MAR-TRE-e82e6c98-18
0.384