Molecular Properties | |
SMILES: | Cc1noc(C(NC(=O)c2cncnc2)C2CCOCC2)n1 |
MW: | 303.13 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 103.03 |
cLogP: | 1.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-35
0.643
MAR-TRE-be9ff7d2-12
0.620
MAR-TRE-8190bb11-56
0.556
MAR-TRE-be9ff7d2-55
0.463
MAR-TRE-799db12b-62
0.451
MAR-TRE-a9136c7b-29
0.430
MAR-TRE-c317dd82-85
0.429
MAR-TRE-c317dd82-71
0.415
MAR-TRE-9d18ae8c-57
0.412
MAR-TRE-92684b97-3
0.407
MAR-TRE-92684b97-100
0.402
MAR-TRE-e82e6c98-79
0.395
MAR-TRE-92684b97-36
0.393
MAR-TRE-be9ff7d2-78
0.391
MAR-TRE-be9ff7d2-79
0.386
MAR-TRE-e82e6c98-34
0.378
MAR-TRE-c317dd82-96
0.377
MAR-TRE-be9ff7d2-16
0.375
MAR-TRE-a9136c7b-97
0.365
MAR-TRE-e82e6c98-71
0.362
MAR-TRE-e82e6c98-56
0.361
MAR-TRE-c317dd82-62
0.353
MAR-TRE-9d18ae8c-37
0.345
MAR-TRE-c317dd82-97
0.345
MAR-TRE-be9ff7d2-69
0.341
MAR-TRE-66ac689e-94
0.341
MAR-TRE-4f781e27-51
0.341
MAR-TRE-a9136c7b-21
0.340
MAR-TRE-be9ff7d2-47
0.338
MAR-TRE-e82e6c98-52
0.337
MAR-TRE-a9136c7b-93
0.337
MAR-TRE-66ac689e-64
0.337
MAR-TRE-e82e6c98-66
0.333
MAR-TRE-be9ff7d2-66
0.333
MAR-TRE-799db12b-8
0.333
MAR-TRE-be9ff7d2-2
0.333
MAR-TRE-e82e6c98-30
0.329
MAR-TRE-a9136c7b-26
0.326
MAR-TRE-66ac689e-36
0.326
MAR-TRE-92684b97-95
0.325
MAR-TRE-e82e6c98-81
0.325
MAR-TRE-92684b97-87
0.325
MAR-TRE-a9136c7b-77
0.322
DAV-IMP-59dd6621-13
0.321
MAR-TRE-4f781e27-39
0.321
MAR-TRE-9d18ae8c-86
0.319
MAR-TRE-799db12b-85
0.319
MAR-TRE-c317dd82-12
0.319
MAR-TRE-66ac689e-61
0.318
MAR-TRE-c317dd82-37
0.318
MAR-TRE-be9ff7d2-54
0.318
RED-RED-10c9212c-47
0.318
MAR-TRE-be9ff7d2-68
0.318
MAR-TRE-92684b97-80
0.317
MAR-TRE-9d18ae8c-87
0.317
MAR-TRE-e82e6c98-88
0.315
MAR-TRE-799db12b-82
0.315
MAR-TRE-66ac689e-84
0.314
MAR-TRE-799db12b-100
0.314
MAR-TRE-8190bb11-72
0.313
MAR-TRE-4f781e27-29
0.313
MAR-TRE-e82e6c98-15
0.312
MAR-TRE-92684b97-63
0.312
MAR-TRE-9d18ae8c-76
0.312
MAR-TRE-c317dd82-25
0.311
MAR-TRE-e82e6c98-42
0.311
MAR-TRE-8190bb11-98
0.310
MAR-TRE-92684b97-71
0.310
MAR-TRE-92684b97-56
0.309
MAR-TRE-c317dd82-48
0.308
MAR-TRE-e82e6c98-31
0.307
MAR-TRE-799db12b-46
0.306
MAR-TRE-92684b97-86
0.306
MAR-TRE-799db12b-94
0.306
MAR-TRE-be9ff7d2-98
0.306
MAR-TRE-c317dd82-67
0.305
MAR-TRE-66ac689e-57
0.305
MAR-TRE-799db12b-71
0.304
MAR-TRE-be9ff7d2-74
0.304
MAR-TRE-e82e6c98-13
0.302
MAR-TRE-be9ff7d2-6
0.302
MAR-TRE-9d18ae8c-64
0.301
MAR-TRE-92684b97-41
0.301
MAR-TRE-e82e6c98-10
0.300
MAR-TRE-e82e6c98-78
0.300
MAR-TRE-e82e6c98-70
0.300
MAR-TRE-a9136c7b-74
0.300
MAR-TRE-a9136c7b-82
0.300
MAR-TRE-be9ff7d2-60
0.300
MAR-TRE-c317dd82-27
0.299
MAR-TRE-4f781e27-76
0.299
MAR-TRE-c317dd82-34
0.299
MAR-TRE-c317dd82-77
0.299
MAR-TRE-9d18ae8c-96
0.299
MAR-TRE-c317dd82-10
0.298
MAR-TRE-a9136c7b-7
0.298
MAR-TRE-9d18ae8c-88
0.298
MAR-TRE-c317dd82-73
0.298
MAR-TRE-66ac689e-18
0.298
MAR-TRE-66ac689e-41
0.298