Molecular Properties | |
SMILES: | Cc1nnc(C(NC(=O)c2cncnc2)C2CCN(C)CC2)o1 |
MW: | 316.16 |
Fraction sp3: | 0.53 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 97.04 |
cLogP: | 0.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-85
0.729
MAR-TRE-be9ff7d2-35
0.706
MAR-TRE-799db12b-62
0.644
MAR-TRE-be9ff7d2-12
0.526
MAR-TRE-a9136c7b-29
0.476
MAR-TRE-92684b97-3
0.470
MAR-TRE-be9ff7d2-29
0.463
MAR-TRE-799db12b-8
0.391
MAR-TRE-9d18ae8c-57
0.390
MAR-TRE-8190bb11-56
0.378
MAR-TRE-c317dd82-71
0.376
MAR-TRE-e82e6c98-71
0.358
MAR-TRE-8190bb11-61
0.356
MAR-TRE-c317dd82-96
0.354
MAR-TRE-be9ff7d2-16
0.354
MAR-TRE-66ac689e-66
0.353
MAR-TRE-be9ff7d2-47
0.351
MAR-TRE-92684b97-100
0.349
MAR-TRE-be9ff7d2-92
0.345
MAR-TRE-e82e6c98-30
0.342
MAR-TRE-e82e6c98-34
0.341
MAR-TRE-4f781e27-38
0.341
MAR-TRE-92684b97-36
0.341
MAR-TRE-c317dd82-97
0.341
MAR-TRE-92684b97-87
0.338
MAR-TRE-be9ff7d2-68
0.329
MAR-TRE-be9ff7d2-6
0.329
MAR-TRE-66ac689e-60
0.326
MAR-TRE-c317dd82-83
0.326
MAR-TRE-be9ff7d2-78
0.326
MAR-TRE-e82e6c98-37
0.326
MAR-TRE-e82e6c98-88
0.326
MAR-TRE-66ac689e-94
0.322
MAR-TRE-e82e6c98-100
0.321
MAR-TRE-c317dd82-48
0.321
MAR-TRE-e82e6c98-3
0.319
MAR-TRE-c317dd82-51
0.319
MAR-TRE-be9ff7d2-8
0.319
MAR-TRE-66ac689e-64
0.318
MAR-TRE-e82e6c98-8
0.318
MAR-TRE-e82e6c98-31
0.318
MAR-TRE-a9136c7b-77
0.318
MAR-TRE-a9136c7b-93
0.318
MAR-TRE-be9ff7d2-96
0.316
MAR-TRE-799db12b-11
0.315
MAR-TRE-4f781e27-65
0.315
MAR-TRE-66ac689e-100
0.314
MAR-TRE-be9ff7d2-80
0.312
MAR-TRE-e82e6c98-62
0.312
MAR-TRE-e82e6c98-10
0.311
MAR-TRE-e82e6c98-40
0.311
MAR-TRE-66ac689e-85
0.310
MAR-TRE-e82e6c98-79
0.310
MAR-TRE-9d18ae8c-88
0.310
MAR-TRE-4f781e27-24
0.310
MAR-TRE-c317dd82-46
0.310
MAR-TRE-c317dd82-73
0.310
MAR-TRE-4f781e27-51
0.307
MAR-TRE-66ac689e-82
0.307
MAR-TRE-be9ff7d2-97
0.307
MAR-TRE-799db12b-70
0.307
MAR-TRE-be9ff7d2-26
0.306
MAR-TRE-8190bb11-98
0.306
MAR-TRE-4f781e27-40
0.306
MAR-TRE-e82e6c98-65
0.306
MAR-TRE-be9ff7d2-42
0.306
MAR-TRE-92684b97-56
0.305
MAR-TRE-be9ff7d2-88
0.305
MAR-TRE-e82e6c98-47
0.305
MAR-TRE-c317dd82-89
0.304
MAR-TRE-92684b97-62
0.303
MAR-TRE-e82e6c98-52
0.303
MAR-TRE-66ac689e-56
0.303
MAR-TRE-9d18ae8c-97
0.302
MAR-TRE-92684b97-39
0.302
MAR-TRE-be9ff7d2-19
0.302
MAR-TRE-799db12b-55
0.302
MAR-TRE-c317dd82-78
0.302
MAR-TRE-a9136c7b-83
0.302
MAR-TRE-e82e6c98-26
0.301
MAR-TRE-9d18ae8c-86
0.301
MAR-TRE-be9ff7d2-53
0.301
MAR-TRE-66ac689e-61
0.300
MAR-TRE-c317dd82-88
0.300
MAR-TRE-be9ff7d2-74
0.300
MAR-TRE-e82e6c98-4
0.299
MAR-TRE-e82e6c98-13
0.299
MAR-TRE-8190bb11-11
0.298
MAR-TRE-92684b97-41
0.298
MAR-TRE-92684b97-80
0.298
MAR-TRE-9d18ae8c-64
0.298
MAR-TRE-9d18ae8c-87
0.298
MAR-TRE-799db12b-82
0.297
MAR-TRE-92684b97-5
0.297
MAR-TRE-c317dd82-98
0.296
MAR-TRE-799db12b-95
0.296
MAR-TRE-be9ff7d2-24
0.296
MAR-TRE-be9ff7d2-100
0.296
MAR-TRE-66ac689e-84
0.295
MAR-TRE-9d18ae8c-37
0.295