Molecular Properties | |
SMILES: | COCCn1cc(C2C(CNC(=O)c3cncnc3)CC(=O)N2C(C)(C)C)cn1 |
MW: | 400.22 |
Fraction sp3: | 0.55 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 102.24 |
cLogP: | 1.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-77
0.714
MAR-TRE-e82e6c98-49
0.607
MAR-TRE-e82e6c98-84
0.533
MAR-TRE-799db12b-67
0.480
MAR-TRE-8190bb11-46
0.466
MAR-TRE-e82e6c98-82
0.451
MAR-TRE-c317dd82-60
0.446
MAR-TRE-be9ff7d2-33
0.414
MAR-TRE-c317dd82-6
0.366
MAR-TRE-e82e6c98-10
0.354
MAR-TRE-c317dd82-5
0.343
MAR-TRE-a9136c7b-83
0.343
MAR-TRE-a9136c7b-72
0.340
MAR-TRE-c317dd82-55
0.337
MAR-TRE-e82e6c98-22
0.337
MAR-TRE-e82e6c98-96
0.337
MAR-TRE-be9ff7d2-24
0.337
MAR-TRE-be9ff7d2-100
0.337
MAR-TRE-c317dd82-51
0.333
MAR-TRE-be9ff7d2-80
0.327
MAR-TRE-e82e6c98-37
0.327
MAR-TRE-c317dd82-11
0.324
MAR-TRE-be9ff7d2-14
0.320
MAR-TRE-4f781e27-7
0.320
MAR-TRE-e82e6c98-16
0.319
MAR-TRE-be9ff7d2-96
0.318
MAR-TRE-799db12b-13
0.317
MAR-TRE-e82e6c98-2
0.316
MAR-TRE-2fd8122f-12
0.315
MAR-TRE-e82e6c98-62
0.314
MAR-TRE-be9ff7d2-46
0.313
MAR-TRE-c317dd82-61
0.313
MAR-TRE-4f781e27-58
0.312
MAR-TRE-8190bb11-33
0.312
MAR-TRE-c317dd82-32
0.311
MAR-TRE-c317dd82-33
0.310
MAR-TRE-be9ff7d2-97
0.309
MAR-TRE-e82e6c98-60
0.309
MAR-TRE-66ac689e-20
0.309
MAR-TRE-e82e6c98-48
0.309
MAR-TRE-92684b97-52
0.308
MAR-TRE-66ac689e-21
0.306
MAR-TRE-4f781e27-22
0.305
MAR-TRE-92684b97-83
0.305
MAR-TRE-c317dd82-54
0.305
MAR-TRE-e82e6c98-26
0.304
MAR-TRE-be9ff7d2-95
0.304
MAR-TRE-be9ff7d2-47
0.303
MAR-TRE-66ac689e-29
0.303
MAR-TRE-e82e6c98-5
0.303
MAR-TRE-e82e6c98-64
0.303
MAR-TRE-8190bb11-82
0.302
MAR-TRE-e82e6c98-12
0.302
MAR-TRE-e82e6c98-4
0.302
MAR-TRE-be9ff7d2-41
0.301
MAR-TRE-e82e6c98-76
0.301
MAR-TRE-8190bb11-96
0.301
MAR-TRE-a9136c7b-86
0.301
MAR-TRE-799db12b-33
0.300
MAR-TRE-8190bb11-85
0.300
MAR-TRE-e82e6c98-59
0.300
MAR-TRE-8190bb11-2
0.299
MAR-TRE-e82e6c98-35
0.299
MAR-TRE-be9ff7d2-18
0.299
MAR-TRE-be9ff7d2-75
0.298
MAR-TRE-be9ff7d2-51
0.297
MAR-TRE-be9ff7d2-94
0.297
MAR-TRE-be9ff7d2-52
0.295
MAR-TRE-e82e6c98-3
0.295
MAR-TRE-e82e6c98-65
0.295
MAR-TRE-a9136c7b-95
0.294
MAR-TRE-e82e6c98-77
0.293
MAR-TRE-8190bb11-86
0.293
MAR-TRE-e82e6c98-8
0.293
MAR-TRE-c317dd82-92
0.292
MAR-TRE-66ac689e-79
0.292
MAR-TRE-9d18ae8c-40
0.292
MAR-TRE-799db12b-69
0.291
MAR-TRE-be9ff7d2-92
0.290
MAR-TRE-92684b97-54
0.289
MAR-TRE-be9ff7d2-70
0.289
MAR-TRE-799db12b-98
0.288
MAR-TRE-e82e6c98-92
0.288
MAR-TRE-c317dd82-50
0.288
MAR-TRE-be9ff7d2-25
0.287
MAR-TRE-9d18ae8c-85
0.287
MAR-TRE-a9136c7b-100
0.287
MAR-TRE-c317dd82-72
0.287
MAR-TRE-e82e6c98-67
0.287
MAR-TRE-a9136c7b-85
0.286
MAR-TRE-4f781e27-76
0.286
MAR-TRE-c317dd82-36
0.286
MAR-TRE-c317dd82-86
0.286
MAR-TRE-e82e6c98-56
0.286
MAR-TRE-be9ff7d2-32
0.286
MAR-TRE-a9136c7b-47
0.284
MAR-TRE-66ac689e-47
0.284
MAR-TRE-e82e6c98-97
0.284
MAR-TRE-c317dd82-46
0.284
MAR-TRE-e82e6c98-71
0.284