Molecular Properties | |
SMILES: | COCc1ncc(C(=O)O)c(NC(=O)c2cncnc2)n1 |
MW: | 289.08 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 127.19 |
cLogP: | 0.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-88
0.368
MAR-TRE-e82e6c98-38
0.361
MAR-TRE-4f781e27-98
0.355
MAR-TRE-e82e6c98-41
0.351
MAR-TRE-be9ff7d2-2
0.349
MAR-TRE-be9ff7d2-36
0.347
MAR-TRE-be9ff7d2-83
0.346
MAR-TRE-c317dd82-47
0.333
MAR-TRE-799db12b-63
0.333
MAR-TRE-be9ff7d2-40
0.333
MAR-TRE-66ac689e-89
0.329
MAR-TRE-66ac689e-18
0.329
MAR-TRE-e82e6c98-71
0.329
MAR-TRE-a9136c7b-56
0.329
MAR-TRE-e82e6c98-27
0.329
MAR-TRE-e82e6c98-68
0.329
MAR-TRE-4f781e27-60
0.326
MAR-TRE-8190bb11-51
0.325
MAR-TRE-c317dd82-90
0.321
MAR-TRE-66ac689e-23
0.321
MAR-TRE-c317dd82-52
0.318
MAR-TRE-799db12b-20
0.317
MAR-TRE-799db12b-32
0.317
MAR-TRE-8190bb11-74
0.317
MAR-TRE-be9ff7d2-84
0.317
MAR-TRE-e82e6c98-55
0.316
MAR-TRE-9d18ae8c-96
0.315
MAR-TRE-799db12b-26
0.315
MAR-TRE-8190bb11-4
0.314
MAR-TRE-799db12b-5
0.313
MAR-TRE-e82e6c98-9
0.312
MAR-TRE-c317dd82-3
0.312
MAR-TRE-be9ff7d2-56
0.311
MAR-TRE-c317dd82-21
0.311
MAR-TRE-799db12b-43
0.310
MAR-TRE-4f781e27-47
0.310
MAR-TRE-799db12b-86
0.310
MAR-TRE-799db12b-74
0.309
MAR-TRE-e82e6c98-65
0.309
MAR-TRE-c317dd82-43
0.308
MAR-TRE-66ac689e-99
0.307
MAR-TRE-c317dd82-68
0.307
MAR-TRE-c317dd82-48
0.307
MAR-TRE-4f781e27-80
0.306
MAR-TRE-66ac689e-30
0.305
MAR-TRE-66ac689e-79
0.305
MAR-TRE-92684b97-34
0.305
MAR-TRE-799db12b-10
0.305
MAR-TRE-799db12b-66
0.305
MAR-TRE-e82e6c98-1
0.305
MAR-TRE-a9136c7b-75
0.304
MAR-TRE-66ac689e-57
0.304
MAR-TRE-be9ff7d2-20
0.304
MAR-TRE-e82e6c98-74
0.304
MAR-TRE-e82e6c98-80
0.304
MAR-TRE-92684b97-73
0.302
MAR-TRE-66ac689e-51
0.301
MAR-TRE-be9ff7d2-70
0.301
MAR-TRE-4f781e27-15
0.301
MAR-TRE-9d18ae8c-69
0.301
MAR-TRE-799db12b-41
0.300
MAR-TRE-4f781e27-87
0.300
MAR-TRE-9d18ae8c-83
0.299
MAR-TRE-e82e6c98-63
0.299
MAR-TRE-66ac689e-75
0.299
MAR-TRE-4f781e27-49
0.299
MAR-TRE-be9ff7d2-32
0.298
MAR-TRE-e82e6c98-34
0.298
MAR-TRE-66ac689e-48
0.298
MAR-TRE-799db12b-50
0.298
MAR-TRE-9d18ae8c-14
0.298
MAR-TRE-e82e6c98-24
0.297
MAR-TRE-9d18ae8c-63
0.296
MAR-TRE-92684b97-48
0.296
MAR-TRE-e82e6c98-20
0.296
MAR-TRE-4f781e27-24
0.296
MAR-TRE-c317dd82-16
0.295
MAR-TRE-a9136c7b-12
0.295
MAR-TRE-9d18ae8c-76
0.295
MAR-TRE-9d18ae8c-95
0.295
MAR-TRE-9d18ae8c-72
0.295
MAR-TRE-9d18ae8c-59
0.295
MAR-TRE-799db12b-84
0.293
MAR-TRE-799db12b-47
0.293
MAR-TRE-e82e6c98-75
0.293
MAR-TRE-e82e6c98-100
0.293
MAR-TRE-799db12b-40
0.292
MAR-TRE-be9ff7d2-85
0.292
MAR-TRE-92684b97-25
0.292
MAR-TRE-4f781e27-67
0.292
MAR-TRE-4f781e27-23
0.292
MAR-TRE-92684b97-56
0.291
MAR-TRE-e82e6c98-77
0.291
MAR-TRE-4f781e27-56
0.291
MAR-TRE-c317dd82-65
0.290
MAR-TRE-4f781e27-22
0.289
MAR-TRE-799db12b-46
0.289
MAR-TRE-799db12b-94
0.289
MAR-TRE-8190bb11-69
0.289
MAR-TRE-92684b97-7
0.289