Molecular Properties | |
SMILES: | COC1COCC1n1cc(CNC(=O)c2cncnc2)nn1 |
MW: | 304.13 |
Fraction sp3: | 0.46 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 104.05 |
cLogP: | -0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-60
0.557
MAR-TRE-e82e6c98-16
0.481
MAR-TRE-be9ff7d2-72
0.398
MAR-TRE-799db12b-57
0.385
MAR-TRE-be9ff7d2-81
0.371
MAR-TRE-c317dd82-67
0.368
MAR-TRE-e82e6c98-56
0.368
MAR-TRE-c317dd82-31
0.367
MAR-TRE-c317dd82-33
0.363
MAR-TRE-be9ff7d2-52
0.358
MAR-TRE-e82e6c98-12
0.356
MAR-TRE-e82e6c98-64
0.356
MAR-TRE-e82e6c98-68
0.354
MAR-TRE-e82e6c98-35
0.352
MAR-TRE-9d18ae8c-55
0.348
MAR-TRE-66ac689e-69
0.347
MAR-TRE-92684b97-74
0.345
MAR-TRE-a9136c7b-54
0.345
MAR-TRE-e82e6c98-8
0.344
MAR-TRE-a9136c7b-17
0.344
MAR-TRE-be9ff7d2-22
0.341
MAR-TRE-be9ff7d2-1
0.337
MAR-TRE-e82e6c98-44
0.337
MAR-TRE-c317dd82-83
0.337
MAR-TRE-e82e6c98-6
0.333
MAR-TRE-e82e6c98-97
0.333
MAR-TRE-a9136c7b-24
0.333
MAR-TRE-c317dd82-55
0.333
MAR-TRE-e82e6c98-49
0.333
MAR-TRE-e82e6c98-22
0.333
MAR-TRE-c317dd82-32
0.333
MAR-TRE-e82e6c98-91
0.333
MAR-TRE-be9ff7d2-33
0.330
MAR-TRE-be9ff7d2-77
0.330
MAR-TRE-8190bb11-73
0.330
MAR-TRE-66ac689e-21
0.330
MAR-TRE-be9ff7d2-11
0.329
MAR-TRE-be9ff7d2-49
0.329
MAR-TRE-799db12b-11
0.326
MAR-TRE-c317dd82-81
0.326
MAR-TRE-66ac689e-29
0.326
MAR-TRE-8190bb11-46
0.326
MAR-TRE-4f781e27-65
0.326
MAR-TRE-4f781e27-88
0.326
MAR-TRE-92684b97-96
0.326
MAR-TRE-be9ff7d2-92
0.326
MAR-TRE-8190bb11-82
0.326
MAR-TRE-92684b97-54
0.326
MAR-TRE-66ac689e-26
0.326
MAR-TRE-e82e6c98-23
0.326
MAR-TRE-4f781e27-99
0.326
MAR-TRE-8190bb11-85
0.325
MAR-TRE-8190bb11-24
0.325
MAR-TRE-be9ff7d2-67
0.325
MAR-TRE-c317dd82-20
0.324
MAR-TRE-e82e6c98-37
0.323
MAR-TRE-799db12b-98
0.323
MAR-TRE-66ac689e-54
0.323
MAR-TRE-799db12b-59
0.323
MAR-TRE-4f781e27-75
0.323
MAR-TRE-be9ff7d2-18
0.322
MAR-TRE-8190bb11-2
0.320
MAR-TRE-e82e6c98-67
0.320
MAR-TRE-66ac689e-53
0.320
MAR-TRE-4f781e27-48
0.319
MAR-TRE-be9ff7d2-89
0.319
MAR-TRE-9d18ae8c-84
0.319
MAR-TRE-66ac689e-20
0.319
MAR-TRE-c317dd82-18
0.318
MAR-TRE-8190bb11-13
0.318
MAR-TRE-92684b97-78
0.317
MAR-TRE-be9ff7d2-99
0.316
MAR-TRE-92684b97-82
0.315
MAR-TRE-799db12b-89
0.315
MAR-TRE-4f781e27-22
0.315
MAR-TRE-be9ff7d2-91
0.312
MAR-TRE-9d18ae8c-81
0.312
MAR-TRE-e82e6c98-5
0.312
MAR-TRE-e82e6c98-95
0.312
MAR-TRE-799db12b-52
0.312
MAR-TRE-799db12b-7
0.312
MAR-TRE-66ac689e-98
0.311
MAR-TRE-be9ff7d2-34
0.311
MAR-TRE-9d18ae8c-89
0.310
MAR-TRE-e82e6c98-55
0.310
MAR-TRE-e82e6c98-76
0.310
MAR-TRE-799db12b-35
0.310
ALP-POS-305f6ec3-43
0.310
MAR-TRE-be9ff7d2-80
0.310
MAR-TRE-799db12b-65
0.309
MAR-TRE-799db12b-64
0.309
MAR-TRE-a9136c7b-100
0.309
MAR-TRE-799db12b-33
0.309
MAR-TRE-92684b97-64
0.309
MAR-TRE-be9ff7d2-82
0.309
MAR-TRE-c317dd82-34
0.308
MAR-TRE-c317dd82-40
0.308
MAR-TRE-c317dd82-77
0.308
MAR-TRE-4f781e27-100
0.308
MAR-TRE-c317dd82-46
0.307