Molecular Properties | |
SMILES: | CCn1nccc1C1C(CNC(=O)c2cncnc2)OCC(=O)N1C |
MW: | 344.16 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 102.24 |
cLogP: | 0.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-51
0.731
MAR-TRE-e82e6c98-37
0.662
MAR-TRE-be9ff7d2-24
0.586
MAR-TRE-be9ff7d2-80
0.539
MAR-TRE-be9ff7d2-100
0.533
MAR-TRE-e82e6c98-62
0.494
MAR-TRE-e82e6c98-4
0.489
MAR-TRE-e82e6c98-3
0.452
MAR-TRE-c317dd82-60
0.451
MAR-TRE-e82e6c98-10
0.418
MAR-TRE-8190bb11-46
0.391
MAR-TRE-be9ff7d2-33
0.390
MAR-TRE-e82e6c98-82
0.379
MAR-TRE-a9136c7b-47
0.354
MAR-TRE-e82e6c98-49
0.354
MAR-TRE-be9ff7d2-77
0.351
MAR-TRE-e82e6c98-12
0.348
MAR-TRE-799db12b-67
0.346
MAR-TRE-e82e6c98-84
0.343
MAR-TRE-4f781e27-48
0.340
MAR-TRE-e82e6c98-61
0.337
MAR-TRE-a9136c7b-95
0.337
MAR-TRE-e82e6c98-42
0.336
MAR-TRE-be9ff7d2-92
0.333
MAR-TRE-e82e6c98-64
0.333
MAR-TRE-c317dd82-85
0.333
MAR-TRE-e82e6c98-5
0.333
MAR-TRE-4f781e27-92
0.326
MAR-TRE-e82e6c98-22
0.326
MAR-TRE-e82e6c98-48
0.326
MAR-TRE-e82e6c98-26
0.322
MAR-TRE-be9ff7d2-47
0.322
MAR-TRE-a9136c7b-63
0.320
MAR-TRE-a9136c7b-83
0.320
MAR-TRE-c317dd82-5
0.320
MAR-TRE-799db12b-7
0.320
MAR-TRE-c317dd82-64
0.320
MAR-TRE-e82e6c98-2
0.320
MAR-TRE-c317dd82-81
0.320
MAR-TRE-8190bb11-81
0.319
MAR-TRE-c317dd82-20
0.318
MAR-TRE-c317dd82-50
0.317
MAR-TRE-a9136c7b-2
0.317
MAR-TRE-be9ff7d2-55
0.316
MAR-TRE-e82e6c98-35
0.316
MAR-TRE-a9136c7b-85
0.314
MAR-TRE-4f781e27-97
0.313
MAR-TRE-be9ff7d2-51
0.313
MAR-TRE-e82e6c98-60
0.312
MAR-TRE-66ac689e-20
0.312
MAR-TRE-be9ff7d2-99
0.310
MAR-TRE-a9136c7b-17
0.310
MAR-TRE-8190bb11-30
0.309
MAR-TRE-be9ff7d2-30
0.309
MAR-TRE-66ac689e-21
0.309
MAR-TRE-c317dd82-92
0.309
MAR-TRE-4f781e27-8
0.308
MAR-TRE-66ac689e-29
0.306
MAR-TRE-799db12b-22
0.306
MAR-TRE-4f781e27-88
0.306
MAR-TRE-a9136c7b-72
0.306
MAR-TRE-c317dd82-29
0.306
MAR-TRE-66ac689e-26
0.305
MAR-TRE-be9ff7d2-68
0.305
MAR-TRE-8190bb11-96
0.304
MAR-TRE-a9136c7b-86
0.304
MAR-TRE-c317dd82-61
0.303
MAR-TRE-e82e6c98-40
0.303
MAR-TRE-8190bb11-34
0.303
MAR-TRE-e82e6c98-36
0.303
MAR-TRE-8190bb11-33
0.302
MAR-TRE-e82e6c98-71
0.301
MAR-TRE-e82e6c98-96
0.301
MAR-TRE-c317dd82-11
0.301
MAR-TRE-e82e6c98-30
0.300
MAR-TRE-c317dd82-33
0.300
MAR-TRE-e82e6c98-6
0.300
MAR-TRE-c317dd82-6
0.299
MAR-TRE-a9136c7b-24
0.299
MAR-TRE-c317dd82-70
0.299
MAR-TRE-e82e6c98-91
0.299
MAR-TRE-be9ff7d2-52
0.298
MAR-TRE-8190bb11-9
0.298
MAR-TRE-8190bb11-64
0.298
MAR-TRE-c317dd82-55
0.298
MAR-TRE-be9ff7d2-13
0.298
MAR-TRE-be9ff7d2-43
0.298
MAR-TRE-be9ff7d2-44
0.298
MAR-TRE-66ac689e-91
0.297
MAR-TRE-e82e6c98-47
0.297
MAR-TRE-8190bb11-13
0.297
MAR-TRE-c317dd82-4
0.296
MAR-TRE-799db12b-89
0.296
MAR-TRE-8190bb11-86
0.296
MAR-TRE-4f781e27-7
0.296
MAR-TRE-be9ff7d2-14
0.296
MAR-TRE-799db12b-18
0.295
MAR-TRE-e82e6c98-16
0.295
MAR-TRE-9d18ae8c-25
0.295
MAR-TRE-be9ff7d2-95
0.294