Molecular Properties | |
SMILES: | CC(=O)NC1(c2noc(CNC(=O)c3cncnc3)n2)CCN(C)CC1 |
MW: | 359.17 |
Fraction sp3: | 0.5 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 126.14 |
cLogP: | -0.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-67
0.388
MAR-TRE-8190bb11-83
0.387
MAR-TRE-be9ff7d2-59
0.382
MAR-TRE-92684b97-95
0.379
MAR-TRE-9d18ae8c-55
0.362
MAR-TRE-66ac689e-69
0.361
MAR-TRE-e82e6c98-12
0.356
MAR-TRE-e82e6c98-5
0.355
MAR-TRE-be9ff7d2-92
0.355
MAR-TRE-4f781e27-48
0.347
MAR-TRE-9d18ae8c-74
0.341
MAR-TRE-e82e6c98-64
0.340
MAR-TRE-4f781e27-11
0.340
MAR-TRE-e82e6c98-68
0.337
MAR-TRE-be9ff7d2-1
0.337
MAR-TRE-e82e6c98-47
0.333
MAR-TRE-be9ff7d2-99
0.330
MAR-TRE-4f781e27-7
0.330
MAR-TRE-e82e6c98-16
0.330
MAR-TRE-c317dd82-31
0.327
MAR-TRE-66ac689e-29
0.326
MAR-TRE-9d18ae8c-81
0.326
MAR-TRE-4f781e27-65
0.326
MAR-TRE-66ac689e-26
0.326
MAR-TRE-4f781e27-99
0.326
MAR-TRE-8190bb11-24
0.326
MAR-TRE-799db12b-64
0.323
MAR-TRE-8190bb11-33
0.323
MAR-TRE-799db12b-72
0.320
MAR-TRE-66ac689e-47
0.320
MAR-TRE-9d18ae8c-84
0.319
MAR-TRE-4f781e27-92
0.319
MAR-TRE-e82e6c98-60
0.319
MAR-TRE-c317dd82-55
0.319
MAR-TRE-8190bb11-13
0.318
MAR-TRE-a9136c7b-37
0.317
MAR-TRE-66ac689e-21
0.316
MAR-TRE-c317dd82-62
0.316
MAR-TRE-799db12b-89
0.316
MAR-TRE-8190bb11-86
0.316
MAR-TRE-be9ff7d2-79
0.316
MAR-TRE-66ac689e-12
0.315
MAR-TRE-92684b97-74
0.315
MAR-TRE-be9ff7d2-11
0.315
MAR-TRE-e82e6c98-26
0.315
MAR-TRE-c317dd82-12
0.313
MAR-TRE-799db12b-69
0.313
MAR-TRE-92684b97-96
0.312
MAR-TRE-be9ff7d2-54
0.312
MAR-TRE-c317dd82-37
0.312
MAR-TRE-c317dd82-81
0.312
MAR-TRE-8190bb11-46
0.312
MAR-TRE-92684b97-54
0.312
MAR-TRE-8190bb11-82
0.312
MAR-TRE-799db12b-35
0.311
MAR-TRE-8190bb11-85
0.310
MAR-TRE-c317dd82-83
0.310
MAR-TRE-e82e6c98-37
0.310
MAR-TRE-66ac689e-54
0.310
MAR-TRE-be9ff7d2-67
0.310
MAR-TRE-be9ff7d2-60
0.309
MAR-TRE-a9136c7b-100
0.309
MAR-TRE-e82e6c98-40
0.309
MAR-TRE-799db12b-59
0.309
MAR-TRE-4f781e27-75
0.309
MAR-TRE-92684b97-44
0.309
MAR-TRE-be9ff7d2-18
0.309
MAR-TRE-e82e6c98-35
0.309
MAR-TRE-4f781e27-100
0.309
MAR-TRE-9d18ae8c-65
0.307
MAR-TRE-a9136c7b-5
0.307
MAR-TRE-e82e6c98-6
0.306
MAR-TRE-c317dd82-25
0.306
MAR-TRE-66ac689e-20
0.305
MAR-TRE-66ac689e-35
0.305
MAR-TRE-92684b97-81
0.305
MAR-TRE-e82e6c98-91
0.305
MAR-TRE-799db12b-44
0.305
MAR-TRE-8190bb11-40
0.305
MAR-TRE-92684b97-14
0.305
MAR-TRE-a9136c7b-11
0.305
MAR-TRE-e82e6c98-75
0.304
MAR-TRE-92684b97-11
0.304
MAR-TRE-c317dd82-51
0.304
MAR-TRE-a9136c7b-17
0.303
MAR-TRE-92684b97-78
0.302
MAR-TRE-9d18ae8c-39
0.302
MAR-TRE-92684b97-53
0.302
MAR-TRE-e82e6c98-8
0.302
MAR-TRE-e82e6c98-93
0.302
MAR-TRE-c317dd82-92
0.301
MAR-TRE-be9ff7d2-17
0.301
MAR-TRE-a9136c7b-54
0.301
MAR-TRE-66ac689e-30
0.301
MAR-TRE-be9ff7d2-98
0.301
MAR-TRE-be9ff7d2-2
0.300
MAR-TRE-799db12b-11
0.300
MAR-TRE-8190bb11-42
0.300
MAR-TRE-4f781e27-88
0.299
MAR-TRE-799db12b-52
0.299