Molecular Properties | |
SMILES: | CCc1nc(C2(CNC(=O)c3cncnc3)CCOCC2)n[nH]1 |
MW: | 316.16 |
Fraction sp3: | 0.53 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.68 |
cLogP: | 0.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-37
0.735
MAR-TRE-c317dd82-12
0.718
MAR-TRE-a9136c7b-7
0.653
MAR-TRE-c317dd82-86
0.620
MAR-TRE-be9ff7d2-91
0.544
MAR-TRE-c317dd82-47
0.518
MAR-TRE-4f781e27-53
0.476
MAR-TRE-be9ff7d2-54
0.422
MAR-TRE-92684b97-14
0.398
MAR-TRE-be9ff7d2-79
0.393
MAR-TRE-9d18ae8c-13
0.379
MAR-TRE-c317dd82-31
0.368
MAR-TRE-92684b97-52
0.367
MAR-TRE-8190bb11-39
0.364
MAR-TRE-9d18ae8c-66
0.363
MAR-TRE-c317dd82-62
0.360
MAR-TRE-be9ff7d2-66
0.357
MAR-TRE-be9ff7d2-2
0.356
MAR-TRE-c317dd82-40
0.353
MAR-TRE-c317dd82-50
0.352
MAR-TRE-4f781e27-22
0.345
MAR-TRE-be9ff7d2-99
0.344
MAR-TRE-e82e6c98-55
0.341
MAR-TRE-e82e6c98-66
0.341
MAR-TRE-8190bb11-13
0.333
MAR-TRE-be9ff7d2-51
0.333
MAR-TRE-c317dd82-49
0.330
MAR-TRE-8190bb11-9
0.330
MAR-TRE-a9136c7b-17
0.330
MAR-TRE-c317dd82-4
0.330
MAR-TRE-a9136c7b-27
0.326
MAR-TRE-a9136c7b-97
0.326
MAR-TRE-be9ff7d2-81
0.326
MAR-TRE-be9ff7d2-70
0.326
MAR-TRE-4f781e27-84
0.325
MAR-TRE-8190bb11-24
0.325
MAR-TRE-799db12b-64
0.323
MAR-TRE-e82e6c98-36
0.322
MAR-TRE-e82e6c98-40
0.322
MAR-TRE-92684b97-19
0.322
MAR-TRE-e82e6c98-56
0.322
MAR-TRE-e82e6c98-83
0.321
MAR-TRE-e82e6c98-68
0.321
MAR-TRE-c317dd82-32
0.320
MAR-TRE-e82e6c98-6
0.319
MAR-TRE-8190bb11-20
0.318
MAR-TRE-799db12b-54
0.318
MAR-TRE-be9ff7d2-16
0.318
MAR-TRE-be9ff7d2-76
0.318
MAR-TRE-92684b97-95
0.318
MAR-TRE-e82e6c98-3
0.316
MAR-TRE-4f781e27-67
0.315
MAR-TRE-66ac689e-5
0.315
MAR-TRE-e82e6c98-1
0.314
MAR-TRE-c317dd82-67
0.312
MAR-TRE-be9ff7d2-29
0.311
MAR-TRE-e82e6c98-64
0.311
MAR-TRE-c317dd82-81
0.311
MAR-TRE-e82e6c98-4
0.309
MAR-TRE-8190bb11-85
0.309
MAR-TRE-c317dd82-34
0.307
MAR-TRE-4f781e27-76
0.307
MAR-TRE-8190bb11-2
0.306
MAR-TRE-c317dd82-22
0.306
MAR-TRE-c317dd82-75
0.306
MAR-TRE-4f781e27-33
0.306
MAR-TRE-e82e6c98-71
0.306
MAR-TRE-9d18ae8c-76
0.305
MAR-TRE-8190bb11-80
0.304
MAR-TRE-9d18ae8c-55
0.304
MAR-TRE-e82e6c98-91
0.303
MAR-TRE-c317dd82-6
0.303
MAR-TRE-a9136c7b-11
0.303
MAR-TRE-e82e6c98-81
0.302
MAR-TRE-799db12b-84
0.302
MAR-TRE-be9ff7d2-69
0.302
MAR-TRE-e82e6c98-48
0.302
MAR-TRE-be9ff7d2-52
0.302
MAR-TRE-e82e6c98-47
0.301
MAR-TRE-c317dd82-96
0.301
MAR-TRE-8190bb11-83
0.301
MAR-TRE-c317dd82-68
0.300
MAR-TRE-e82e6c98-61
0.300
MAR-TRE-4f781e27-28
0.299
MAR-TRE-799db12b-94
0.299
MAR-TRE-be9ff7d2-53
0.298
MAR-TRE-8190bb11-31
0.298
MAR-TRE-be9ff7d2-49
0.298
MAR-TRE-c317dd82-53
0.298
MAR-TRE-be9ff7d2-11
0.298
MAR-TRE-66ac689e-67
0.297
MAR-TRE-4f781e27-88
0.297
MAR-TRE-66ac689e-34
0.297
MAR-TRE-e82e6c98-2
0.297
MAR-TRE-e82e6c98-5
0.297
MAR-TRE-9d18ae8c-61
0.296
MAR-TRE-be9ff7d2-40
0.295
MAR-TRE-8190bb11-82
0.295
MAR-TRE-4f781e27-16
0.295
MAR-TRE-e82e6c98-62
0.295