Molecular Properties | |
SMILES: | Cn1cc(C2C(CNC(=O)c3cncnc3)CC(=O)N2C(C)(C)C)cn1 |
MW: | 356.2 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 93.01 |
cLogP: | 1.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-20
0.714
MAR-TRE-e82e6c98-49
0.667
MAR-TRE-8190bb11-46
0.526
MAR-TRE-e82e6c98-82
0.506
MAR-TRE-c317dd82-60
0.500
MAR-TRE-e82e6c98-84
0.488
MAR-TRE-799db12b-67
0.484
MAR-TRE-be9ff7d2-33
0.444
MAR-TRE-e82e6c98-10
0.395
MAR-TRE-c317dd82-55
0.395
MAR-TRE-c317dd82-6
0.393
MAR-TRE-c317dd82-54
0.390
MAR-TRE-c317dd82-5
0.382
MAR-TRE-a9136c7b-83
0.380
MAR-TRE-e82e6c98-59
0.379
MAR-TRE-e82e6c98-22
0.378
MAR-TRE-a9136c7b-72
0.375
MAR-TRE-be9ff7d2-100
0.372
MAR-TRE-c317dd82-51
0.370
MAR-TRE-799db12b-13
0.367
MAR-TRE-e82e6c98-37
0.363
MAR-TRE-be9ff7d2-24
0.358
MAR-TRE-be9ff7d2-14
0.356
MAR-TRE-e82e6c98-12
0.353
MAR-TRE-be9ff7d2-96
0.351
MAR-TRE-e82e6c98-35
0.349
MAR-TRE-c317dd82-61
0.348
MAR-TRE-e82e6c98-62
0.348
MAR-TRE-be9ff7d2-80
0.347
MAR-TRE-e82e6c98-48
0.345
MAR-TRE-e82e6c98-60
0.345
MAR-TRE-be9ff7d2-51
0.344
MAR-TRE-c317dd82-33
0.344
MAR-TRE-be9ff7d2-47
0.342
MAR-TRE-a9136c7b-77
0.341
MAR-TRE-4f781e27-7
0.341
MAR-TRE-e82e6c98-31
0.341
MAR-TRE-66ac689e-21
0.341
MAR-TRE-8190bb11-85
0.338
MAR-TRE-e82e6c98-5
0.337
MAR-TRE-e82e6c98-64
0.337
MAR-TRE-66ac689e-29
0.337
MAR-TRE-e82e6c98-4
0.333
MAR-TRE-c317dd82-97
0.333
MAR-TRE-8190bb11-33
0.333
MAR-TRE-be9ff7d2-18
0.333
MAR-TRE-c317dd82-11
0.330
MAR-TRE-66ac689e-20
0.330
MAR-TRE-be9ff7d2-97
0.330
MAR-TRE-e82e6c98-47
0.329
MAR-TRE-92684b97-52
0.329
MAR-TRE-e82e6c98-3
0.326
MAR-TRE-e82e6c98-61
0.326
MAR-TRE-e82e6c98-8
0.326
MAR-TRE-e82e6c98-16
0.326
MAR-TRE-e82e6c98-26
0.325
MAR-TRE-be9ff7d2-92
0.322
MAR-TRE-8190bb11-82
0.322
MAR-TRE-be9ff7d2-41
0.321
MAR-TRE-8190bb11-96
0.321
MAR-TRE-be9ff7d2-25
0.321
MAR-TRE-c317dd82-50
0.319
MAR-TRE-66ac689e-60
0.319
MAR-TRE-c317dd82-72
0.319
MAR-TRE-a9136c7b-100
0.319
MAR-TRE-4f781e27-76
0.318
MAR-TRE-be9ff7d2-32
0.318
MAR-TRE-be9ff7d2-94
0.317
MAR-TRE-e82e6c98-30
0.317
MAR-TRE-e82e6c98-96
0.316
MAR-TRE-be9ff7d2-75
0.316
MAR-TRE-a9136c7b-47
0.315
MAR-TRE-66ac689e-47
0.315
MAR-TRE-c317dd82-70
0.315
MAR-TRE-92684b97-11
0.314
MAR-TRE-be9ff7d2-13
0.314
MAR-TRE-a9136c7b-95
0.312
MAR-TRE-8190bb11-86
0.311
MAR-TRE-c317dd82-4
0.311
MAR-TRE-8190bb11-73
0.311
MAR-TRE-e82e6c98-93
0.311
MAR-TRE-4f781e27-22
0.310
MAR-TRE-c317dd82-92
0.310
MAR-TRE-92684b97-83
0.310
MAR-TRE-be9ff7d2-11
0.310
MAR-TRE-92684b97-74
0.310
MAR-TRE-4f781e27-8
0.309
MAR-TRE-799db12b-69
0.309
MAR-TRE-be9ff7d2-95
0.309
MAR-TRE-c317dd82-15
0.308
MAR-TRE-799db12b-7
0.308
MAR-TRE-e82e6c98-2
0.308
MAR-TRE-66ac689e-26
0.307
MAR-TRE-e82e6c98-76
0.306
MAR-TRE-e82e6c98-92
0.305
MAR-TRE-a9136c7b-86
0.305
MAR-TRE-799db12b-64
0.305
MAR-TRE-c317dd82-83
0.305
MAR-TRE-a9136c7b-2
0.305
MAR-TRE-799db12b-98
0.305