Molecular Properties | |
SMILES: | CN1C(=O)CC(CNC(=O)c2cncnc2)C1c1cnn(Cc2ccccc2)c1 |
MW: | 390.18 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 93.01 |
cLogP: | 1.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-46
0.671
MAR-TRE-c317dd82-60
0.528
MAR-TRE-e82e6c98-82
0.517
MAR-TRE-e82e6c98-49
0.484
MAR-TRE-be9ff7d2-77
0.484
MAR-TRE-c317dd82-20
0.480
MAR-TRE-8190bb11-21
0.441
MAR-TRE-e82e6c98-84
0.424
MAR-TRE-92684b97-70
0.406
MAR-TRE-66ac689e-34
0.404
MAR-TRE-799db12b-21
0.389
MAR-TRE-66ac689e-29
0.375
MAR-TRE-e82e6c98-10
0.371
MAR-TRE-66ac689e-43
0.368
MAR-TRE-66ac689e-21
0.365
MAR-TRE-c317dd82-51
0.363
MAR-TRE-66ac689e-83
0.358
MAR-TRE-a9136c7b-72
0.355
MAR-TRE-66ac689e-20
0.354
MAR-TRE-4f781e27-48
0.354
MAR-TRE-be9ff7d2-24
0.352
MAR-TRE-8190bb11-82
0.347
MAR-TRE-66ac689e-7
0.347
MAR-TRE-a9136c7b-83
0.346
MAR-TRE-be9ff7d2-96
0.346
MAR-TRE-e82e6c98-37
0.343
MAR-TRE-be9ff7d2-80
0.343
MAR-TRE-e82e6c98-22
0.340
MAR-TRE-a9136c7b-47
0.340
MAR-TRE-4f781e27-28
0.337
MAR-TRE-a9136c7b-95
0.337
MAR-TRE-be9ff7d2-33
0.336
MAR-TRE-e82e6c98-12
0.333
MAR-TRE-9d18ae8c-81
0.333
MAR-TRE-799db12b-69
0.333
MAR-TRE-8190bb11-81
0.333
MAR-TRE-be9ff7d2-100
0.327
MAR-TRE-9d18ae8c-65
0.327
MAR-TRE-be9ff7d2-14
0.323
MAR-TRE-799db12b-89
0.323
MAR-TRE-a9136c7b-63
0.321
MAR-TRE-c317dd82-5
0.320
MAR-TRE-799db12b-13
0.320
MAR-TRE-799db12b-52
0.320
MAR-TRE-66ac689e-26
0.320
MAR-TRE-92684b97-51
0.319
MAR-TRE-e82e6c98-62
0.317
MAR-TRE-799db12b-65
0.317
MAR-TRE-a9136c7b-2
0.317
MAR-TRE-8190bb11-34
0.317
MAR-TRE-66ac689e-47
0.314
MAR-TRE-8190bb11-90
0.314
MAR-TRE-9d18ae8c-30
0.314
MAR-TRE-e82e6c98-60
0.313
MAR-TRE-799db12b-44
0.313
MAR-TRE-c317dd82-55
0.312
MAR-TRE-799db12b-16
0.310
MAR-TRE-e82e6c98-8
0.310
MAR-TRE-66ac689e-12
0.309
MAR-TRE-8190bb11-62
0.309
MAR-TRE-8190bb11-8
0.308
MAR-TRE-e82e6c98-5
0.307
MAR-TRE-e82e6c98-64
0.307
MAR-TRE-66ac689e-31
0.307
MAR-TRE-66ac689e-51
0.306
MAR-TRE-9d18ae8c-58
0.306
MAR-TRE-e82e6c98-4
0.306
MAR-TRE-8190bb11-96
0.305
MAR-TRE-799db12b-64
0.305
MAR-TRE-66ac689e-54
0.305
MAR-TRE-a9136c7b-86
0.305
UNK-CYC-68f84b31-21
0.304
MAR-TRE-4f781e27-49
0.304
MAR-TRE-8190bb11-85
0.304
MAR-TRE-9d18ae8c-54
0.304
MAR-TRE-9d18ae8c-18
0.304
MAR-TRE-9d18ae8c-46
0.304
MAR-TRE-a9136c7b-4
0.304
MAR-TRE-e82e6c98-35
0.303
MAR-TRE-66ac689e-73
0.303
MAR-TRE-e82e6c98-19
0.302
MAR-TRE-66ac689e-69
0.302
MAR-TRE-8190bb11-80
0.301
MAR-TRE-9d18ae8c-52
0.301
MAR-TRE-c317dd82-6
0.300
MAR-TRE-66ac689e-35
0.300
MAR-TRE-8190bb11-40
0.300
MAR-TRE-be9ff7d2-89
0.300
MAR-TRE-e82e6c98-3
0.299
MAR-TRE-8190bb11-64
0.299
MAR-TRE-92684b97-11
0.299
MAR-TRE-92684b97-38
0.299
MAR-TRE-be9ff7d2-13
0.299
MAR-TRE-e82e6c98-48
0.299
MAR-TRE-9d18ae8c-42
0.299
MAR-TRE-66ac689e-91
0.298
MAR-TRE-92684b97-33
0.298
MAR-TRE-92684b97-66
0.298
MAR-TRE-9d18ae8c-6
0.297
MAR-TRE-92684b97-82
0.297