Molecular Properties | |
SMILES: | O=C(Cn1cc(NC(=O)c2cncnc2)cn1)NCCO |
MW: | 290.11 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 122.03 |
cLogP: | -0.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-e82e6c98-80
0.700
MAR-TRE-c317dd82-59
0.592
MAR-TRE-c317dd82-7
0.548
MAR-TRE-4f781e27-12
0.500
MAR-TRE-be9ff7d2-46
0.474
MAR-TRE-e82e6c98-19
0.351
MAR-TRE-8190bb11-69
0.342
MAR-TRE-4f781e27-49
0.338
MAR-TRE-66ac689e-76
0.337
MAR-TRE-799db12b-37
0.337
MAR-TRE-799db12b-39
0.333
MAR-TRE-be9ff7d2-83
0.333
MAR-TRE-799db12b-86
0.329
MAR-TRE-799db12b-43
0.329
MAR-TRE-799db12b-76
0.326
MAR-TRE-4f781e27-31
0.325
MAR-TRE-e82e6c98-50
0.321
MAR-TRE-66ac689e-51
0.321
MAR-TRE-9d18ae8c-58
0.321
MAR-TRE-66ac689e-88
0.321
MAR-TRE-9d18ae8c-15
0.321
MAR-TRE-c317dd82-63
0.321
MAR-TRE-9d18ae8c-29
0.317
MAR-TRE-c317dd82-36
0.317
MAR-TRE-be9ff7d2-36
0.316
MAR-TRE-c317dd82-56
0.315
MAR-TRE-c317dd82-16
0.314
MAR-TRE-66ac689e-8
0.313
MAR-TRE-c317dd82-6
0.313
MAR-TRE-e82e6c98-7
0.312
MAR-TRE-4f781e27-85
0.312
MAR-TRE-799db12b-25
0.310
MAR-TRE-8190bb11-7
0.310
MAR-TRE-e82e6c98-16
0.309
MAR-TRE-e82e6c98-26
0.308
MAR-TRE-be9ff7d2-49
0.308
MAR-TRE-66ac689e-31
0.306
MAR-TRE-a9136c7b-89
0.306
MAR-TRE-799db12b-20
0.305
MAR-TRE-c317dd82-23
0.304
MAR-TRE-8190bb11-96
0.304
MAR-TRE-8190bb11-65
0.304
MAR-TRE-be9ff7d2-25
0.304
MAR-TRE-4f781e27-84
0.304
MAR-TRE-66ac689e-10
0.303
MAR-TRE-66ac689e-25
0.302
MAR-TRE-8190bb11-43
0.302
MAR-TRE-be9ff7d2-18
0.301
MAR-TRE-66ac689e-50
0.301
MAR-TRE-9d18ae8c-2
0.301
MAR-TRE-4f781e27-19
0.300
MAR-TRE-8190bb11-50
0.300
MAR-TRE-4f781e27-1
0.300
MAR-TRE-4f781e27-47
0.299
MAR-TRE-799db12b-93
0.299
MAR-TRE-8190bb11-21
0.299
MAR-TRE-66ac689e-65
0.299
MAR-TRE-4f781e27-57
0.299
MAR-TRE-c317dd82-26
0.299
MAR-TRE-be9ff7d2-94
0.299
MAR-TRE-e82e6c98-27
0.299
MAR-TRE-92684b97-55
0.298
MAR-TRE-9d18ae8c-53
0.298
MAR-TRE-be9ff7d2-56
0.297
MAR-TRE-be9ff7d2-44
0.296
MAR-TRE-be9ff7d2-43
0.296
MAR-TRE-e82e6c98-65
0.296
MAR-TRE-e82e6c98-48
0.296
MAR-TRE-8190bb11-51
0.296
MAR-TRE-4f781e27-43
0.296
MAR-TRE-92684b97-88
0.296
MAR-TRE-be9ff7d2-85
0.295
MAR-TRE-799db12b-40
0.295
MAR-TRE-e82e6c98-47
0.295
MAR-TRE-e82e6c98-54
0.295
MAR-TRE-be9ff7d2-48
0.295
MAR-TRE-c317dd82-68
0.293
MAR-TRE-92684b97-78
0.293
MAR-TRE-66ac689e-30
0.293
MAR-TRE-c317dd82-92
0.293
MAR-TRE-be9ff7d2-19
0.293
MAR-TRE-c317dd82-13
0.292
MAR-TRE-04c86cea-40
0.292
MAR-TRE-be9ff7d2-20
0.291
MAR-TRE-e82e6c98-72
0.291
MAR-TRE-66ac689e-40
0.291
MAR-TRE-a9136c7b-42
0.291
MAR-TRE-c317dd82-88
0.289
MAR-TRE-8190bb11-82
0.289
MAR-TRE-be9ff7d2-40
0.289
MAR-TRE-be9ff7d2-70
0.289
MAR-TRE-e82e6c98-12
0.289
MAR-TRE-e82e6c98-29
0.289
MAR-TRE-66ac689e-98
0.289
MAR-TRE-8190bb11-81
0.289
MAR-TRE-a9136c7b-28
0.289
MAR-TRE-4f781e27-90
0.289
MAR-TRE-799db12b-26
0.289
MAR-TRE-9d18ae8c-89
0.287
MAR-TRE-e82e6c98-76
0.287