Molecular Properties | |
SMILES: | O=C(NCc1nnc2ccc(Cl)cn12)c1cncnc1 |
MW: | 288.05 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.07 |
cLogP: | 1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-73
0.687
MAR-TRE-c317dd82-74
0.468
MAR-TRE-e82e6c98-64
0.462
MAR-TRE-e82e6c98-97
0.450
MAR-TRE-be9ff7d2-92
0.443
MAR-TRE-e82e6c98-57
0.400
MAR-TRE-8190bb11-42
0.400
MAR-TRE-e82e6c98-8
0.395
MAR-TRE-4f781e27-65
0.390
MAR-TRE-be9ff7d2-90
0.387
MAR-TRE-8190bb11-88
0.378
MAR-TRE-4f781e27-84
0.377
MAR-TRE-9d18ae8c-89
0.377
MAR-TRE-e82e6c98-12
0.375
MAR-TRE-66ac689e-26
0.375
MAR-TRE-92684b97-78
0.370
MAR-TRE-c317dd82-83
0.368
MAR-TRE-c317dd82-55
0.367
MAR-TRE-92684b97-88
0.367
MAR-TRE-92684b97-72
0.367
MAR-TRE-e82e6c98-16
0.362
MAR-TRE-4f781e27-28
0.362
MAR-TRE-a9136c7b-54
0.362
MAR-TRE-66ac689e-12
0.362
MAR-TRE-be9ff7d2-67
0.361
MAR-TRE-8190bb11-24
0.360
MAR-TRE-8190bb11-85
0.360
MAR-TRE-4f781e27-99
0.359
MAR-TRE-799db12b-7
0.357
MAR-TRE-8190bb11-50
0.354
MAR-TRE-4f781e27-100
0.354
MAR-TRE-8190bb11-13
0.351
MAR-TRE-92684b97-11
0.350
MAR-TRE-a9136c7b-24
0.349
MAR-TRE-66ac689e-20
0.349
MAR-TRE-9d18ae8c-84
0.349
MAR-TRE-9d18ae8c-49
0.348
MAR-TRE-be9ff7d2-11
0.346
MAR-TRE-92684b97-74
0.346
MAR-TRE-e82e6c98-18
0.345
MAR-TRE-66ac689e-21
0.345
MAR-TRE-799db12b-35
0.342
MAR-TRE-be9ff7d2-34
0.341
MAR-TRE-e82e6c98-50
0.341
MAR-TRE-8190bb11-81
0.341
MAR-TRE-8190bb11-82
0.341
MAR-TRE-9d18ae8c-74
0.341
MAR-TRE-92684b97-96
0.341
MAR-TRE-799db12b-52
0.341
MAR-TRE-a9136c7b-76
0.341
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-e82e6c98-20
0.338
MAR-TRE-e82e6c98-35
0.337
MAR-TRE-92684b97-44
0.337
MAR-TRE-be9ff7d2-18
0.337
MAR-TRE-a9136c7b-100
0.337
MAR-TRE-be9ff7d2-60
0.337
MAR-TRE-e82e6c98-85
0.337
MAR-TRE-8190bb11-27
0.337
MAR-TRE-799db12b-72
0.333
MAR-TRE-e82e6c98-60
0.333
MAR-TRE-92684b97-81
0.333
MAR-TRE-66ac689e-47
0.333
MAR-TRE-92684b97-82
0.329
MAR-TRE-799db12b-89
0.329
MAR-TRE-799db12b-16
0.329
MAR-TRE-9d18ae8c-6
0.329
MAR-TRE-c317dd82-35
0.329
MAR-TRE-be9ff7d2-17
0.329
MAR-TRE-66ac689e-49
0.329
MAR-TRE-c317dd82-81
0.326
MAR-TRE-e82e6c98-95
0.326
MAR-TRE-8190bb11-46
0.326
MAR-TRE-4f781e27-88
0.326
MAR-TRE-be9ff7d2-81
0.326
MAR-TRE-66ac689e-29
0.326
MAR-TRE-9d18ae8c-81
0.326
MAR-TRE-92684b97-54
0.325
MAR-TRE-c317dd82-63
0.325
MAR-TRE-e82e6c98-23
0.325
MAR-TRE-8190bb11-96
0.325
MAR-TRE-a9136c7b-31
0.323
MAR-TRE-799db12b-14
0.322
MAR-TRE-799db12b-2
0.322
MAR-TRE-be9ff7d2-82
0.322
MAR-TRE-9d18ae8c-54
0.322
MAR-TRE-92684b97-64
0.322
MAR-TRE-799db12b-59
0.322
MAR-TRE-8190bb11-34
0.322
MAR-TRE-66ac689e-73
0.321
MAR-TRE-66ac689e-37
0.321
MAR-TRE-8190bb11-33
0.321
MAR-TRE-a9136c7b-48
0.321
MAR-TRE-be9ff7d2-1
0.321
MAR-TRE-799db12b-61
0.321
MAR-TRE-92684b97-75
0.321
MAR-TRE-4f781e27-70
0.321
MAR-TRE-c317dd82-11
0.319
MAR-TRE-66ac689e-53
0.319
MAR-TRE-4f781e27-2
0.318