Molecular Properties | |
SMILES: | CN1CCOC(CNC(=O)c2cncnc2)C1c1ccnn1C |
MW: | 316.16 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.17 |
cLogP: | 0.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-4
0.711
MAR-TRE-c317dd82-51
0.641
MAR-TRE-be9ff7d2-24
0.617
MAR-TRE-e82e6c98-10
0.525
MAR-TRE-c317dd82-60
0.524
MAR-TRE-e82e6c98-3
0.524
MAR-TRE-be9ff7d2-33
0.517
MAR-TRE-be9ff7d2-96
0.494
MAR-TRE-e82e6c98-37
0.465
MAR-TRE-be9ff7d2-80
0.444
MAR-TRE-be9ff7d2-100
0.440
MAR-TRE-c317dd82-64
0.407
MAR-TRE-be9ff7d2-47
0.367
MAR-TRE-e82e6c98-82
0.363
MAR-TRE-8190bb11-46
0.360
MAR-TRE-a9136c7b-83
0.358
MAR-TRE-c317dd82-6
0.352
MAR-TRE-be9ff7d2-77
0.348
MAR-TRE-c317dd82-5
0.344
MAR-TRE-e82e6c98-30
0.341
MAR-TRE-e82e6c98-56
0.341
MAR-TRE-e82e6c98-84
0.340
MAR-TRE-c317dd82-29
0.340
MAR-TRE-e82e6c98-47
0.337
MAR-TRE-e82e6c98-48
0.337
MAR-TRE-be9ff7d2-51
0.337
MAR-TRE-e82e6c98-49
0.337
MAR-TRE-e82e6c98-96
0.337
MAR-TRE-c317dd82-4
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-c317dd82-92
0.333
MAR-TRE-be9ff7d2-14
0.333
MAR-TRE-799db12b-8
0.330
MAR-TRE-be9ff7d2-95
0.330
MAR-TRE-c317dd82-81
0.330
MAR-TRE-799db12b-7
0.330
MAR-TRE-be9ff7d2-92
0.330
MAR-TRE-e82e6c98-5
0.330
MAR-TRE-799db12b-52
0.330
MAR-TRE-4f781e27-88
0.330
MAR-TRE-66ac689e-26
0.330
MAR-TRE-c317dd82-50
0.326
MAR-TRE-66ac689e-54
0.326
MAR-TRE-e82e6c98-40
0.326
MAR-TRE-e82e6c98-36
0.326
MAR-TRE-4f781e27-76
0.326
MAR-TRE-c317dd82-40
0.326
MAR-TRE-c317dd82-73
0.326
MAR-TRE-e82e6c98-71
0.326
MAR-TRE-a9136c7b-85
0.323
MAR-TRE-c317dd82-33
0.323
MAR-TRE-4f781e27-48
0.323
MAR-TRE-be9ff7d2-97
0.322
MAR-TRE-4f781e27-92
0.322
MAR-TRE-8190bb11-13
0.321
MAR-TRE-8190bb11-9
0.320
MAR-TRE-c317dd82-69
0.319
MAR-TRE-799db12b-89
0.319
MAR-TRE-e82e6c98-61
0.319
MAR-TRE-799db12b-67
0.317
MAR-TRE-799db12b-18
0.316
MAR-TRE-c317dd82-85
0.316
MAR-TRE-e82e6c98-2
0.315
MAR-TRE-be9ff7d2-81
0.315
MAR-TRE-66ac689e-67
0.315
MAR-TRE-e82e6c98-12
0.315
MAR-TRE-799db12b-35
0.314
MAR-TRE-4f781e27-99
0.314
MAR-TRE-9d18ae8c-78
0.314
MAR-TRE-c317dd82-20
0.314
MAR-TRE-8190bb11-85
0.313
MAR-TRE-8190bb11-24
0.313
MAR-TRE-e82e6c98-25
0.313
MAR-TRE-be9ff7d2-46
0.312
MAR-TRE-be9ff7d2-55
0.312
MAR-TRE-e82e6c98-34
0.311
MAR-TRE-c317dd82-22
0.310
MAR-TRE-e82e6c98-68
0.310
MAR-TRE-e82e6c98-6
0.309
MAR-TRE-799db12b-72
0.309
MAR-TRE-e82e6c98-60
0.308
MAR-TRE-66ac689e-20
0.308
MAR-TRE-e82e6c98-22
0.307
MAR-TRE-be9ff7d2-43
0.307
MAR-TRE-e82e6c98-77
0.306
MAR-TRE-a9136c7b-17
0.305
MAR-TRE-be9ff7d2-99
0.305
MAR-TRE-92684b97-78
0.305
MAR-TRE-a9136c7b-93
0.304
MAR-TRE-66ac689e-21
0.304
MAR-TRE-8190bb11-30
0.304
MAR-TRE-8190bb11-86
0.304
MAR-TRE-c317dd82-54
0.303
MAR-TRE-66ac689e-12
0.303
MAR-TRE-4f781e27-22
0.303
MAR-TRE-c317dd82-12
0.302
MAR-TRE-4f781e27-65
0.301
MAR-TRE-c317dd82-37
0.301
MAR-TRE-be9ff7d2-54
0.301
MAR-TRE-a9136c7b-89
0.301