Molecular Properties | |
SMILES: | CCN1CCOC(CNC(=O)c2cncnc2)C1c1cncn1C |
MW: | 330.18 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.17 |
cLogP: | 0.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-4
0.714
MAR-TRE-be9ff7d2-80
0.610
MAR-TRE-e82e6c98-37
0.600
MAR-TRE-e82e6c98-62
0.524
MAR-TRE-be9ff7d2-33
0.523
MAR-TRE-a9136c7b-83
0.472
MAR-TRE-c317dd82-51
0.461
MAR-TRE-be9ff7d2-96
0.452
MAR-TRE-be9ff7d2-24
0.446
MAR-TRE-be9ff7d2-100
0.446
MAR-TRE-e82e6c98-10
0.393
MAR-TRE-c317dd82-57
0.379
MAR-TRE-c317dd82-60
0.366
MAR-TRE-8190bb11-46
0.352
MAR-TRE-c317dd82-50
0.347
MAR-TRE-c317dd82-33
0.344
MAR-TRE-e82e6c98-26
0.341
MAR-TRE-e82e6c98-61
0.341
MAR-TRE-e82e6c98-82
0.340
MAR-TRE-799db12b-8
0.337
MAR-TRE-c317dd82-29
0.333
MAR-TRE-e82e6c98-36
0.333
MAR-TRE-e82e6c98-40
0.333
MAR-TRE-e82e6c98-71
0.333
MAR-TRE-e82e6c98-49
0.330
MAR-TRE-be9ff7d2-51
0.330
MAR-TRE-c317dd82-6
0.330
MAR-TRE-e82e6c98-48
0.330
MAR-TRE-e82e6c98-47
0.329
MAR-TRE-be9ff7d2-77
0.326
MAR-TRE-be9ff7d2-99
0.326
MAR-TRE-be9ff7d2-14
0.326
MAR-TRE-c317dd82-12
0.323
MAR-TRE-c317dd82-5
0.323
MAR-TRE-c317dd82-85
0.323
MAR-TRE-be9ff7d2-92
0.323
MAR-TRE-e82e6c98-2
0.323
MAR-TRE-e82e6c98-5
0.323
MAR-TRE-e82e6c98-84
0.320
MAR-TRE-c317dd82-83
0.320
MAR-TRE-be9ff7d2-55
0.319
MAR-TRE-be9ff7d2-82
0.319
MAR-TRE-e82e6c98-56
0.319
MAR-TRE-c317dd82-34
0.319
MAR-TRE-c317dd82-40
0.319
MAR-TRE-a9136c7b-85
0.316
MAR-TRE-c317dd82-25
0.316
MAR-TRE-e82e6c98-60
0.315
MAR-TRE-be9ff7d2-16
0.315
MAR-TRE-e82e6c98-22
0.315
MAR-TRE-c317dd82-4
0.312
MAR-TRE-799db12b-18
0.310
MAR-TRE-799db12b-11
0.309
MAR-TRE-be9ff7d2-95
0.309
MAR-TRE-799db12b-7
0.309
MAR-TRE-4f781e27-65
0.309
MAR-TRE-c317dd82-37
0.309
MAR-TRE-c317dd82-81
0.309
MAR-TRE-e82e6c98-64
0.309
MAR-TRE-be9ff7d2-81
0.309
MAR-TRE-e82e6c98-12
0.308
MAR-TRE-be9ff7d2-60
0.305
MAR-TRE-8190bb11-33
0.304
MAR-TRE-4f781e27-76
0.304
MAR-TRE-e82e6c98-34
0.304
MAR-TRE-8190bb11-2
0.304
MAR-TRE-c317dd82-22
0.304
MAR-TRE-c317dd82-32
0.304
MAR-TRE-c317dd82-11
0.303
MAR-TRE-a9136c7b-7
0.303
MAR-TRE-e82e6c98-97
0.302
MAR-TRE-8190bb11-39
0.302
MAR-TRE-c317dd82-49
0.301
MAR-TRE-a9136c7b-29
0.300
MAR-TRE-c317dd82-55
0.300
MAR-TRE-be9ff7d2-43
0.300
MAR-TRE-799db12b-67
0.299
MAR-TRE-c317dd82-96
0.299
MAR-TRE-e82e6c98-77
0.299
MAR-TRE-4f781e27-7
0.298
MAR-TRE-4f781e27-77
0.298
MAR-TRE-e82e6c98-8
0.298
MAR-TRE-c317dd82-67
0.297
MAR-TRE-a9136c7b-76
0.296
MAR-TRE-be9ff7d2-91
0.296
MAR-TRE-c317dd82-20
0.295
MAR-TRE-66ac689e-67
0.295
MAR-TRE-c317dd82-64
0.295
MAR-TRE-be9ff7d2-47
0.294
MAR-TRE-799db12b-21
0.294
MAR-TRE-66ac689e-26
0.293
MAR-TRE-8190bb11-82
0.293
MAR-TRE-be9ff7d2-40
0.293
MAR-TRE-799db12b-64
0.293
MAR-TRE-8190bb11-96
0.292
MAR-TRE-799db12b-48
0.292
MAR-TRE-be9ff7d2-46
0.292
MAR-TRE-e82e6c98-42
0.291
MAR-TRE-be9ff7d2-32
0.290
MAR-TRE-c317dd82-86
0.290