Molecular Properties | |
SMILES: | O=C(NC1(c2nc(C3CC3)no2)CCOCC1)c1cncnc1 |
MW: | 315.13 |
Fraction sp3: | 0.53 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 103.03 |
cLogP: | 1.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-62
0.620
MAR-TRE-be9ff7d2-79
0.620
MAR-TRE-be9ff7d2-2
0.579
MAR-TRE-e82e6c98-66
0.493
MAR-TRE-be9ff7d2-66
0.493
MAR-TRE-8190bb11-20
0.462
MAR-TRE-799db12b-54
0.462
MAR-TRE-a9136c7b-27
0.429
MAR-TRE-92684b97-95
0.429
MAR-TRE-e82e6c98-83
0.416
MAR-TRE-4f781e27-33
0.416
MAR-TRE-be9ff7d2-76
0.410
MAR-TRE-799db12b-71
0.395
MAR-TRE-92684b97-19
0.395
MAR-TRE-66ac689e-5
0.386
MAR-TRE-a9136c7b-7
0.371
MAR-TRE-9d18ae8c-96
0.370
MAR-TRE-92684b97-100
0.369
MAR-TRE-be9ff7d2-29
0.365
MAR-TRE-9d18ae8c-76
0.364
MAR-TRE-92684b97-36
0.360
MAR-TRE-e82e6c98-55
0.350
MAR-TRE-c317dd82-37
0.349
MAR-TRE-be9ff7d2-54
0.349
MAR-TRE-c317dd82-40
0.345
MAR-TRE-c317dd82-68
0.342
MAR-TRE-92684b97-52
0.342
MAR-TRE-4f781e27-21
0.342
MAR-TRE-66ac689e-55
0.341
MAR-TRE-8190bb11-39
0.341
MAR-TRE-c317dd82-53
0.338
MAR-TRE-be9ff7d2-91
0.333
MAR-TRE-e82e6c98-41
0.333
MAR-TRE-8190bb11-56
0.333
MAR-TRE-c317dd82-86
0.329
MAR-TRE-e82e6c98-34
0.329
MAR-TRE-9d18ae8c-95
0.329
MAR-TRE-4f781e27-53
0.326
MAR-TRE-c317dd82-25
0.326
MAR-TRE-be9ff7d2-69
0.325
MAR-TRE-9d18ae8c-39
0.325
MAR-TRE-c317dd82-4
0.322
MAR-TRE-be9ff7d2-35
0.322
MAR-TRE-be9ff7d2-12
0.322
MAR-TRE-e82e6c98-1
0.321
MAR-TRE-c317dd82-12
0.319
MAR-TRE-9d18ae8c-72
0.312
MAR-TRE-9d18ae8c-33
0.310
MAR-TRE-c317dd82-47
0.305
MAR-TRE-e82e6c98-99
0.303
MAR-TRE-66ac689e-90
0.303
MAR-TRE-c317dd82-8
0.301
MAR-TRE-9d18ae8c-31
0.301
MAR-TRE-92684b97-3
0.301
MAR-TRE-e82e6c98-36
0.300
MAR-TRE-66ac689e-83
0.299
MAR-TRE-4f781e27-76
0.299
MAR-TRE-e82e6c98-56
0.299
MAR-TRE-e82e6c98-79
0.299
MAR-TRE-a9136c7b-85
0.298
MAR-TRE-799db12b-34
0.297
MAR-TRE-9d18ae8c-32
0.297
MAR-TRE-92684b97-31
0.295
MAR-TRE-c317dd82-18
0.294
MAR-TRE-e82e6c98-81
0.294
MAR-TRE-e82e6c98-65
0.294
MAR-TRE-92684b97-76
0.294
MAR-TRE-9d18ae8c-42
0.294
MAR-TRE-c317dd82-96
0.293
MAR-TRE-799db12b-57
0.290
MAR-TRE-be9ff7d2-81
0.289
MAR-TRE-66ac689e-7
0.289
MAR-TRE-a9136c7b-38
0.288
MAR-TRE-be9ff7d2-74
0.287
MAR-TRE-9d18ae8c-61
0.287
MAR-TRE-be9ff7d2-78
0.287
MAR-TRE-be9ff7d2-41
0.286
MAR-TRE-be9ff7d2-60
0.286
MAR-TRE-8190bb11-65
0.286
MAR-TRE-c317dd82-75
0.286
MAR-TRE-e82e6c98-67
0.286
MAR-TRE-8190bb11-2
0.286
MAR-TRE-be9ff7d2-59
0.284
MAR-TRE-4f781e27-10
0.284
MAR-TRE-66ac689e-2
0.284
MAR-TRE-c317dd82-34
0.284
MAR-TRE-a9136c7b-65
0.283
MAR-TRE-e82e6c98-6
0.283
MAR-TRE-e82e6c98-71
0.282
MAR-TRE-c317dd82-73
0.282
MAR-TRE-8190bb11-75
0.281
MAR-TRE-9d18ae8c-27
0.281
MAR-TRE-e82e6c98-15
0.280
MAR-TRE-a9136c7b-16
0.280
MAR-TRE-c317dd82-31
0.280
MAR-TRE-8190bb11-100
0.280
MAR-TRE-4f781e27-67
0.280
MAR-TRE-c317dd82-69
0.280
MAR-TRE-be9ff7d2-8
0.280
MAR-TRE-a9136c7b-17
0.280