Molecular Properties | |
SMILES: | O=C(O)c1ccc(-c2cccc(CNC(=O)c3cncnc3)c2)cc1 |
MW: | 333.11 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.18 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-81
0.662
MAR-TRE-9d18ae8c-46
0.589
MAR-TRE-8190bb11-80
0.560
MAR-TRE-8190bb11-8
0.545
MAR-TRE-8190bb11-31
0.545
MAR-TRE-66ac689e-73
0.514
MAR-TRE-66ac689e-37
0.514
MAR-TRE-9d18ae8c-53
0.507
MAR-TRE-799db12b-44
0.507
MAR-TRE-9d18ae8c-18
0.506
MAR-TRE-9d18ae8c-11
0.506
MAR-TRE-92684b97-82
0.500
MAR-TRE-9d18ae8c-52
0.500
MAR-TRE-799db12b-16
0.500
MAR-TRE-799db12b-27
0.500
MAR-TRE-92684b97-6
0.500
MAR-TRE-9d18ae8c-30
0.500
MAR-TRE-799db12b-14
0.500
MAR-TRE-9d18ae8c-7
0.494
MAR-TRE-9d18ae8c-43
0.487
MAR-TRE-799db12b-69
0.487
MAR-TRE-799db12b-2
0.487
MAR-TRE-9d18ae8c-54
0.487
MAR-TRE-799db12b-3
0.487
MAR-TRE-799db12b-33
0.487
MAR-TRE-799db12b-24
0.487
MAR-TRE-9d18ae8c-34
0.481
MAR-TRE-4f781e27-2
0.481
MAR-TRE-9d18ae8c-36
0.481
MAR-TRE-9d18ae8c-16
0.470
MAR-TRE-799db12b-51
0.469
MAR-TRE-8190bb11-34
0.468
MAR-TRE-66ac689e-54
0.463
MAR-TRE-799db12b-97
0.463
MAR-TRE-66ac689e-33
0.463
MAR-TRE-9d18ae8c-10
0.458
MAR-TRE-9d18ae8c-65
0.458
MAR-TRE-9d18ae8c-49
0.458
MAR-TRE-66ac689e-1
0.457
MAR-TRE-799db12b-76
0.452
MAR-TRE-a9136c7b-11
0.448
MAR-TRE-92684b97-78
0.443
MAR-TRE-799db12b-4
0.442
MAR-TRE-92684b97-11
0.434
MAR-TRE-8190bb11-42
0.432
MAR-TRE-8190bb11-85
0.431
MAR-TRE-4f781e27-92
0.430
MAR-TRE-799db12b-18
0.430
MAR-TRE-66ac689e-12
0.429
MAR-TRE-be9ff7d2-17
0.429
MAR-TRE-799db12b-9
0.427
MAR-TRE-9d18ae8c-89
0.427
MAR-TRE-66ac689e-26
0.423
MAR-TRE-8190bb11-24
0.411
MAR-TRE-4f781e27-28
0.410
MAR-TRE-e82e6c98-25
0.409
MAR-TRE-8190bb11-86
0.407
MAR-TRE-8190bb11-83
0.405
MAR-TRE-4f781e27-88
0.402
MAR-TRE-9d18ae8c-81
0.402
MAR-TRE-8190bb11-13
0.400
MAR-TRE-66ac689e-20
0.395
MAR-TRE-66ac689e-21
0.390
MAR-TRE-4f781e27-99
0.390
MAR-TRE-799db12b-35
0.390
MAR-TRE-8190bb11-50
0.385
MAR-TRE-be9ff7d2-90
0.382
MAR-TRE-92684b97-64
0.381
MAR-TRE-a9136c7b-31
0.378
MAR-TRE-4f781e27-48
0.376
MAR-TRE-4f781e27-83
0.376
MAR-TRE-be9ff7d2-67
0.375
MAR-TRE-92684b97-53
0.373
MAR-TRE-799db12b-52
0.369
MAR-TRE-e82e6c98-68
0.368
MAR-TRE-4f781e27-100
0.366
MAR-TRE-4f781e27-55
0.361
MAR-TRE-92684b97-47
0.361
MAR-TRE-799db12b-72
0.360
MAR-TRE-66ac689e-69
0.360
MAR-TRE-92684b97-74
0.359
MAR-TRE-92684b97-91
0.357
MAR-TRE-4f781e27-49
0.355
MAR-TRE-8190bb11-96
0.354
MAR-TRE-92684b97-54
0.354
MAR-TRE-9d18ae8c-74
0.354
MAR-TRE-66ac689e-29
0.353
MAR-TRE-66ac689e-34
0.353
MAR-TRE-92684b97-44
0.349
MAR-TRE-a9136c7b-100
0.349
MAR-TRE-8190bb11-99
0.348
MAR-TRE-92684b97-66
0.346
MAR-TRE-e82e6c98-54
0.346
MAR-TRE-4f781e27-74
0.346
MAR-TRE-c317dd82-55
0.346
MAR-TRE-8190bb11-36
0.346
MAR-TRE-8190bb11-40
0.345
MAR-TRE-e82e6c98-91
0.345
MAR-TRE-a9136c7b-4
0.344
MAR-TRE-be9ff7d2-11
0.342