Molecular Properties | |
SMILES: | COCc1n[nH]c(C2(CNC(=O)c3cncnc3)CCOCC2)n1 |
MW: | 332.16 |
Fraction sp3: | 0.53 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 114.91 |
cLogP: | 0.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-91
0.641
MAR-TRE-c317dd82-37
0.531
MAR-TRE-c317dd82-12
0.524
MAR-TRE-c317dd82-25
0.518
MAR-TRE-c317dd82-86
0.512
MAR-TRE-a9136c7b-7
0.477
MAR-TRE-be9ff7d2-2
0.438
MAR-TRE-4f781e27-53
0.429
MAR-TRE-be9ff7d2-54
0.393
MAR-TRE-92684b97-14
0.386
MAR-TRE-be9ff7d2-70
0.379
MAR-TRE-9d18ae8c-13
0.370
MAR-TRE-e82e6c98-55
0.365
MAR-TRE-e82e6c98-56
0.360
MAR-TRE-c317dd82-32
0.354
MAR-TRE-4f781e27-22
0.352
MAR-TRE-be9ff7d2-79
0.352
MAR-TRE-c317dd82-31
0.347
MAR-TRE-c317dd82-40
0.344
MAR-TRE-92684b97-52
0.341
MAR-TRE-be9ff7d2-76
0.341
MAR-TRE-8190bb11-39
0.340
MAR-TRE-8190bb11-2
0.340
MAR-TRE-e82e6c98-1
0.337
MAR-TRE-c317dd82-4
0.337
MAR-TRE-be9ff7d2-15
0.333
MAR-TRE-be9ff7d2-66
0.333
MAR-TRE-9d18ae8c-66
0.327
MAR-TRE-c317dd82-49
0.324
MAR-TRE-be9ff7d2-99
0.323
MAR-TRE-c317dd82-62
0.323
MAR-TRE-a9136c7b-27
0.320
MAR-TRE-be9ff7d2-40
0.319
MAR-TRE-e82e6c98-66
0.319
MAR-TRE-e82e6c98-41
0.318
MAR-TRE-c317dd82-50
0.316
MAR-TRE-e82e6c98-36
0.316
MAR-TRE-e82e6c98-38
0.316
MAR-TRE-e82e6c98-40
0.316
MAR-TRE-e82e6c98-34
0.315
MAR-TRE-e82e6c98-71
0.315
MAR-TRE-799db12b-84
0.311
MAR-TRE-e82e6c98-77
0.310
MAR-TRE-a9136c7b-17
0.309
MAR-TRE-66ac689e-5
0.309
MAR-TRE-e82e6c98-16
0.308
MAR-TRE-be9ff7d2-5
0.307
MAR-TRE-be9ff7d2-49
0.307
MAR-TRE-a9136c7b-97
0.305
MAR-TRE-92684b97-73
0.305
MAR-TRE-4f781e27-16
0.304
MAR-TRE-e82e6c98-84
0.304
MAR-TRE-e82e6c98-76
0.303
MAR-TRE-799db12b-64
0.303
MAR-TRE-8190bb11-24
0.302
MAR-TRE-799db12b-33
0.302
MAR-TRE-c317dd82-34
0.301
MAR-TRE-92684b97-19
0.301
MAR-TRE-4f781e27-33
0.300
MAR-TRE-c317dd82-11
0.300
MAR-TRE-be9ff7d2-51
0.299
MAR-TRE-e82e6c98-6
0.299
MAR-TRE-9d18ae8c-55
0.299
MAR-TRE-be9ff7d2-33
0.298
MAR-TRE-e82e6c98-91
0.298
MAR-TRE-c317dd82-6
0.298
MAR-TRE-799db12b-54
0.298
MAR-TRE-8190bb11-20
0.298
MAR-TRE-be9ff7d2-72
0.297
MAR-TRE-e82e6c98-81
0.297
MAR-TRE-e82e6c98-65
0.297
MAR-TRE-4f781e27-35
0.295
MAR-TRE-c317dd82-68
0.294
MAR-TRE-799db12b-94
0.293
MAR-TRE-be9ff7d2-95
0.293
MAR-TRE-c317dd82-29
0.292
MAR-TRE-c317dd82-81
0.292
MAR-TRE-e82e6c98-64
0.292
MAR-TRE-66ac689e-67
0.292
MAR-TRE-be9ff7d2-34
0.290
MAR-TRE-66ac689e-98
0.290
MAR-TRE-be9ff7d2-62
0.290
MAR-TRE-be9ff7d2-41
0.289
MAR-TRE-799db12b-35
0.289
MAR-TRE-4f781e27-99
0.289
MAR-TRE-c317dd82-22
0.288
MAR-TRE-c317dd82-75
0.288
MAR-TRE-e82e6c98-67
0.288
MAR-TRE-8190bb11-85
0.287
MAR-TRE-4f781e27-76
0.287
MAR-TRE-e82e6c98-49
0.287
MAR-TRE-66ac689e-69
0.287
MAR-TRE-a9136c7b-5
0.287
MAR-TRE-be9ff7d2-1
0.286
MAR-TRE-e82e6c98-83
0.286
MAR-TRE-be9ff7d2-67
0.286
MAR-TRE-a9136c7b-80
0.286
MAR-TRE-799db12b-72
0.286
MAR-TRE-66ac689e-59
0.286
MAR-TRE-be9ff7d2-7
0.284