Molecular Properties | |
SMILES: | COCc1noc(C2(NC(=O)c3cncnc3)CCOCC2)n1 |
MW: | 319.13 |
Fraction sp3: | 0.5 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 112.26 |
cLogP: | 0.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-79
0.750
MAR-TRE-c317dd82-62
0.608
MAR-TRE-a9136c7b-97
0.579
MAR-TRE-e82e6c98-66
0.487
MAR-TRE-be9ff7d2-66
0.468
MAR-TRE-a9136c7b-27
0.442
MAR-TRE-8190bb11-20
0.439
MAR-TRE-799db12b-54
0.439
MAR-TRE-c317dd82-47
0.438
MAR-TRE-e82e6c98-55
0.418
MAR-TRE-be9ff7d2-76
0.407
MAR-TRE-92684b97-95
0.407
MAR-TRE-e82e6c98-83
0.395
MAR-TRE-4f781e27-33
0.395
MAR-TRE-92684b97-19
0.393
MAR-TRE-e82e6c98-1
0.386
MAR-TRE-66ac689e-5
0.384
MAR-TRE-c317dd82-37
0.379
MAR-TRE-c317dd82-12
0.363
MAR-TRE-c317dd82-86
0.360
MAR-TRE-c317dd82-25
0.356
MAR-TRE-e82e6c98-41
0.350
MAR-TRE-be9ff7d2-15
0.349
MAR-TRE-be9ff7d2-54
0.348
MAR-TRE-92684b97-73
0.348
MAR-TRE-be9ff7d2-91
0.348
MAR-TRE-be9ff7d2-29
0.333
MAR-TRE-92684b97-4
0.333
MAR-TRE-9d18ae8c-96
0.333
MAR-TRE-e82e6c98-34
0.330
MAR-TRE-a9136c7b-7
0.326
MAR-TRE-66ac689e-55
0.326
MAR-TRE-e82e6c98-65
0.326
MAR-TRE-4f781e27-21
0.325
MAR-TRE-4f781e27-35
0.322
MAR-TRE-c317dd82-53
0.321
MAR-TRE-c317dd82-34
0.315
MAR-TRE-c317dd82-40
0.315
MAR-TRE-e82e6c98-71
0.314
MAR-TRE-9d18ae8c-95
0.313
MAR-TRE-9d18ae8c-76
0.313
MAR-TRE-9d18ae8c-72
0.313
MAR-TRE-4f781e27-53
0.312
MAR-TRE-8190bb11-39
0.312
MAR-TRE-9d18ae8c-55
0.312
MAR-TRE-92684b97-14
0.311
MAR-TRE-c317dd82-68
0.309
MAR-TRE-4f781e27-67
0.309
MAR-TRE-c317dd82-4
0.308
MAR-TRE-66ac689e-90
0.304
MAR-TRE-e82e6c98-36
0.301
MAR-TRE-e82e6c98-38
0.301
MAR-TRE-c317dd82-75
0.300
MAR-TRE-8190bb11-2
0.300
MAR-TRE-c317dd82-32
0.300
MAR-TRE-e82e6c98-56
0.300
MAR-TRE-66ac689e-69
0.299
MAR-TRE-9d18ae8c-13
0.298
MAR-TRE-9d18ae8c-32
0.298
MAR-TRE-92684b97-31
0.297
MAR-TRE-be9ff7d2-16
0.295
MAR-TRE-9d18ae8c-42
0.295
MAR-TRE-be9ff7d2-69
0.295
MAR-TRE-e82e6c98-81
0.295
MAR-TRE-92684b97-76
0.295
MAR-TRE-c317dd82-31
0.294
MAR-TRE-92684b97-52
0.294
MAR-TRE-c317dd82-96
0.294
MAR-TRE-be9ff7d2-35
0.293
MAR-TRE-c317dd82-90
0.293
MAR-TRE-be9ff7d2-12
0.293
MAR-TRE-799db12b-94
0.292
MAR-TRE-4f781e27-22
0.292
MAR-TRE-9d18ae8c-71
0.291
MAR-TRE-9d18ae8c-61
0.289
MAR-TRE-be9ff7d2-40
0.289
MAR-TRE-8190bb11-56
0.289
MAR-TRE-66ac689e-88
0.287
MAR-TRE-e82e6c98-78
0.287
MAR-TRE-e82e6c98-67
0.287
MAR-TRE-e82e6c98-79
0.286
MAR-TRE-4f781e27-76
0.286
MAR-TRE-be9ff7d2-33
0.284
MAR-TRE-4f781e27-20
0.284
MAR-TRE-92684b97-77
0.284
MAR-TRE-e82e6c98-15
0.282
MAR-TRE-8190bb11-83
0.281
MAR-TRE-799db12b-47
0.281
MAR-TRE-be9ff7d2-72
0.281
MAR-TRE-799db12b-84
0.281
MAR-TRE-c317dd82-18
0.281
MAR-TRE-9d18ae8c-33
0.281
MAR-TRE-9d18ae8c-68
0.280
MAR-TRE-4f781e27-80
0.280
MAR-TRE-92684b97-100
0.280
MAR-TRE-66ac689e-79
0.278
MAR-TRE-66ac689e-93
0.278
MAR-TRE-c317dd82-48
0.277
MAR-TRE-9d18ae8c-39
0.277
MAR-TRE-92684b97-96
0.277