Molecular Properties | |
SMILES: | O=C(Cn1cccn1)Nc1cccc(CNC(=O)c2cncnc2)c1 |
MW: | 336.13 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.8 |
cLogP: | 1.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-53
0.704
MAR-TRE-66ac689e-37
0.690
MAR-TRE-9d18ae8c-54
0.632
MAR-TRE-799db12b-24
0.632
MAR-TRE-799db12b-33
0.632
MAR-TRE-799db12b-2
0.610
MAR-TRE-799db12b-27
0.605
MAR-TRE-799db12b-16
0.605
MAR-TRE-4f781e27-2
0.603
MAR-TRE-9d18ae8c-30
0.603
MAR-TRE-9d18ae8c-18
0.590
MAR-TRE-799db12b-3
0.590
MAR-TRE-9d18ae8c-52
0.582
MAR-TRE-9d18ae8c-34
0.580
MAR-TRE-799db12b-14
0.580
MAR-TRE-799db12b-97
0.580
MAR-TRE-92684b97-6
0.580
MAR-TRE-a9136c7b-11
0.576
MAR-TRE-9d18ae8c-7
0.575
MAR-TRE-799db12b-51
0.568
MAR-TRE-9d18ae8c-11
0.568
MAR-TRE-9d18ae8c-43
0.568
MAR-TRE-9d18ae8c-16
0.566
MAR-TRE-9d18ae8c-10
0.554
MAR-TRE-66ac689e-73
0.538
MAR-TRE-799db12b-4
0.535
MAR-TRE-9d18ae8c-36
0.506
MAR-TRE-9d18ae8c-49
0.500
MAR-TRE-8190bb11-8
0.477
MAR-TRE-8190bb11-34
0.476
MAR-TRE-9d18ae8c-46
0.476
MAR-TRE-92684b97-81
0.476
RAL-MED-2de63afb-12
0.457
MAR-TRE-92684b97-82
0.452
MAR-TRE-9d18ae8c-6
0.452
MAR-TRE-8190bb11-81
0.451
MAR-TRE-8190bb11-31
0.443
MAR-TRE-799db12b-69
0.443
MAR-TRE-799db12b-44
0.440
MAR-TRE-66ac689e-54
0.438
MAR-TRE-8190bb11-80
0.437
MAR-TRE-9d18ae8c-65
0.433
MAR-TRE-be9ff7d2-17
0.422
MAR-TRE-66ac689e-33
0.420
MAR-TRE-66ac689e-1
0.416
MAR-TRE-92684b97-78
0.416
MAR-TRE-8190bb11-13
0.412
SWA-SYN-d2e6fa14-8
0.411
SWA-SYN-6423ea73-8
0.411
MAR-TRE-4f781e27-43
0.410
MAR-TRE-92684b97-11
0.410
MAR-TRE-799db12b-18
0.409
MAR-TRE-4f781e27-92
0.407
MAR-TRE-799db12b-9
0.406
MAR-TRE-8190bb11-24
0.405
MAR-TRE-66ac689e-12
0.405
MAR-TRE-c317dd82-59
0.404
MAR-TRE-66ac689e-26
0.400
MAR-TRE-66ac689e-31
0.398
MAR-TRE-92684b97-89
0.391
MAR-TRE-799db12b-43
0.389
AAR-UNI-c25c2f1e-65
0.388
MAR-TRE-4f781e27-49
0.388
MAR-TRE-8190bb11-85
0.388
MAR-TRE-8190bb11-86
0.386
MAR-TRE-799db12b-35
0.386
MAR-TRE-799db12b-52
0.382
MAR-TRE-4f781e27-88
0.382
MAR-TRE-8190bb11-50
0.381
MAR-TRE-799db12b-39
0.379
MAR-TRE-92684b97-55
0.375
MAR-TRE-a9136c7b-31
0.375
MAR-TRE-66ac689e-20
0.375
MAR-TRE-e82e6c98-80
0.373
MAR-TRE-66ac689e-21
0.371
MAR-TRE-799db12b-40
0.370
MAR-TRE-4f781e27-99
0.369
MAR-TRE-9d18ae8c-89
0.369
MAR-TRE-8190bb11-4
0.363
MAR-TRE-e82e6c98-54
0.361
MAR-TRE-e82e6c98-25
0.361
MAR-TRE-799db12b-72
0.359
MAR-TRE-4f781e27-47
0.359
MAR-TRE-4f781e27-48
0.359
MAR-TRE-a9136c7b-4
0.356
MAR-TRE-92684b97-53
0.356
MAR-TRE-be9ff7d2-67
0.354
MAR-TRE-c317dd82-63
0.353
MAR-TRE-8190bb11-82
0.352
MAR-TRE-a9136c7b-14
0.350
MAR-TRE-4f781e27-100
0.348
MAR-TRE-be9ff7d2-90
0.345
MAR-TRE-66ac689e-65
0.344
MAR-TRE-4f781e27-28
0.341
MAR-TRE-9d18ae8c-48
0.341
MAR-TRE-9d18ae8c-74
0.337
MAR-TRE-e82e6c98-12
0.337
MAR-TRE-e82e6c98-50
0.337
MAR-TRE-a9136c7b-28
0.337
MAR-TRE-a9136c7b-42
0.337